Vitas-M small molecule compound
N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl-L-alanine
Catalog ID
STL545249
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N[C@H](C(=O)O)C)C(C)C)NC(=O)C)cc(c1OC)OC
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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 C29H37N3O8 MW 555.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O8/c1-14(2)25(28(35)30-15(3)29(36)37)32-21-11-9-18-19(13-22(21)34)20(31-16(4)33)10-8-17-12-23(38-5)26(39-6)27(40-7)24(17)18/h9,11-15,20,25H,8,10H2,1-7H3,(H,30,35)(H,31,33)(H,32,34)(H,36,37)/t15-,20-,25-/m0/s1InChIKey
NZEZCPRRUXXJRI-SOJACNMYSA-NSynonyms
(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)propanoicacid
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)propanoicacid
110207658
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N(C@H)(C(=O)O)C)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC29H37N3O8c114(2)25(28(35)3015(3)29(36)37)32211191819(1322(21)34)20(3116(4)33)108171223(385)26(396)27(407)24(17)18h911152025H810H217H3(H3035)(H3133)(H3234)(H3637)t152025m0s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LvalylLalanine
ZINC000253410945
ZINC253410945
Check stock
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Check stock on Vitas-MAvailable files
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