Vitas-M small molecule compound
N-[(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]glycyl-D-valyl-S-benzyl-D-cysteine
Catalog ID
STK598082
SMILES O=C(N[C@@H](C(=O)N[C@@H](C(=O)O)CSCc1ccccc1)C(C)C)CNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
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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 C34H39N3O8S MW 649.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N3O8S/c1-17(2)29(32(40)36-26(33(41)42)16-46-15-22-10-8-7-9-11-22)37-28(39)14-35-27(38)13-25-19(4)24-12-23-18(3)21(6)44-30(23)20(5)31(24)45-34(25)43/h7-12,17,26,29H,13-16H2,1-6H3,(H,35,38)(H,36,40)(H,37,39)(H,41,42)/t26-,29-/m1/s1InChIKey
BDQVVCCLJPSOMK-GGXMVOPNSA-NSynonyms
1014085-92-7(2S)3benzylsulfanyl2(((2R)3methyl2((2((2(2359tetramethyl7oxofuro(32g)chromen6yl)acetyl)amino)acetyl)amino)butanoyl)amino)propanoicacid
(S)3(benzylthio)2((R)3methyl2(2(2(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)acetamido)acetamido)butanamido)propanoicacid
1014085927
CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2C)CC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CSCC4=CC=CC=C4)C(=O)O)C)C
InChI=1SC34H39N3O8Sc117(2)29(32(40)3626(33(41)42)16461522108791122)3728(39)143527(38)132519(4)24122318(3)21(6)4430(23)20(5)31(24)4534(25)43h712172629H1316H216H3(H3538)(H3640)(H3739)(H4142)t2629m1s1
MFCD18246079
N((2359tetramethyl7oxo7Hfuro(32g)chromen6yl)acetyl)glycylDvalylSbenzylDcysteine
O=C(N(C@@H)(C(=O)N(C@@H)(C(=O)O)CSCc1ccccc1)C(C)C)CNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
ZINC000097957105
ZINC97957105
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