Vitas-M small molecule compound
methyl N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl-L-alaninate
Catalog ID
STL543348
SMILES COC(=O)[C@@H](NC(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C30H39N3O8 MW 569.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39N3O8/c1-15(2)26(29(36)31-16(3)30(37)41-8)33-22-12-10-19-20(14-23(22)35)21(32-17(4)34)11-9-18-13-24(38-5)27(39-6)28(40-7)25(18)19/h10,12-16,21,26H,9,11H2,1-8H3,(H,31,36)(H,32,34)(H,33,35)/t16-,21-,26-/m0/s1InChIKey
YJLOPUNUMGFDGH-ZJEXDUHMSA-NSynonyms
(S)methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)propanoate
110207062
COC(=O)(C@@H)(NC(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC30H39N3O8c115(2)26(29(36)3116(3)30(37)418)332212101920(1423(22)35)21(3217(4)34)119181324(385)27(396)28(407)25(18)19h1012162126H911H218H3(H3136)(H3234)(H3335)t162126m0s1
methyl(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)propanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LvalylLalaninate
ZINC000253414724
ZINC253414724
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.