Vitas-M small molecule compound
(4R)-5-tert-butoxy-4-[({6-[(6-{[(2R)-1-tert-butoxy-4-carboxy-1-oxobutan-2-yl]carbamoyl}-2-{[(6aR,6bS,8aS,11S,14bS)-11-{[(2R)-1-tert-butoxy-4-carboxy-1-oxobutan-2-yl]carbamoyl}-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,1
Catalog ID
STL565398
SMILES OC(=O)CC[C@H](C(=O)OC(C)(C)C)NC(=O)C1OC(OC2CC[C@]3(C(C2(C)C)CC[C@@]2(C3C(=O)C=C3[C@@]2(C)CC[C@@]2(C3C[C@](C)(CC2)C(=O)N[C@@H](C(=O)OC(C)(C)C)CCC(=O)O)C)C)C)C(C(C1O)O)OC1OC(C(=O)N[C@@H](C(=O)OC(C)(C)C)CCC(=O)O)C(C(C1O)O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C69H107N3O25 MW 1378.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C69H107N3O25/c1-61(2,3)95-55(87)35(17-20-41(74)75)70-53(85)49-45(81)44(80)48(84)58(92-49)94-51-47(83)46(82)50(54(86)71-36(18-21-42(76)77)56(88)96-62(4,5)6)93-59(51)91-40-24-25-67(14)39(64(40,10)11)23-26-69(16)52(67)38(73)31-33-34-32-66(13,28-27-6InChIKey
JJGYRZANSUTKOW-PISCSRTISA-NSynonyms
(4R)4((6(2(((6aR6bS8aS11S14bS)11(((2R)4carboxy1((2methylpropan2yl)oxy)1oxobutan2yl)carbamoyl)446a6b8a1114bheptamethyl14oxo234a56789101212a14adodecahydro1Hpicen3yl)oxy)6(((2R)4carboxy1((2methylpropan2yl)oxy)1oxobutan2yl)carbamoyl)45dihydroxyoxan3yl)ox
(4R)5tertbutoxy4(((6((6(((2R)1tertbutoxy4carboxy1oxobutan2yl)carbamoyl)2(((6aR6bS8aS11S14bS)11(((2R)1tertbutoxy4carboxy1oxobutan2yl)carbamoyl)446a6b8a1114bheptamethyl14oxo12344a566a6b788a91011121
44662440
InChI=1SC69H107N3O25c161(23)9555(87)35(172041(74)75)7053(85)4945(81)44(80)48(84)58(9249)945147(83)46(82)50(54(86)7136(182142(76)77)56(88)9662(45)6)9359(51)9140242567(14)39(64(4010)11)232669(16)52(67)38(73)3133343266(13282765(3412)293068(3369)15)60(90
OC(=O)CC(C@H)(C(=O)OC(C)(C)C)NC(=O)C1OC(O(C@@H)2CC(C@)3(C(C2(C)C)CC(C@@)2((C@@H)3C(=O)C=C3(C@@)2(C)CC(C@@)2((C@@H)3C(C@)(C)(CC2)C(=O)N(C@@H)(C(=O)OC(C)(C)C)CCC(=O)O)C)C)C)C(C(C1O)O)OC1OC(C(=O)N(C@@H)(C(=O)OC(C)(C)C)CCC(=O)O)C(C(C1O)O)O
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.