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-alanyl-L-isoleucinate
Catalog ID
STL545751
SMILES CC[C@H]([C@@H](C(=O)OC)NC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C31H41N3O8 MW 583.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41N3O8/c1-9-16(2)27(31(38)42-8)34-30(37)17(3)32-23-13-11-20-21(15-24(23)36)22(33-18(4)35)12-10-19-14-25(39-5)28(40-6)29(41-7)26(19)20/h11,13-17,22,27H,9-10,12H2,1-8H3,(H,32,36)(H,33,35)(H,34,37)/t16-,17+,22+,27+/m1/s1InChIKey
FMCRXKIUGCXQQC-DQPUOBMGSA-NSynonyms
(2S3R)methyl2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamido)3methylpentanoate
110205967
CC(C@H)((C@@H)(C(=O)OC)NC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C)C
InChI=1SC31H41N3O8c1916(2)27(31(38)428)3430(37)17(3)322313112021(1524(23)36)22(3318(4)35)1210191425(395)28(406)29(417)26(19)20h1113172227H91012H218H3(H3236)(H3335)(H3437)t1617+22+27+m1s1
methyl(2~(S)3~(R))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoyl)amino)3methylpentanoate
methylN((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LalanylLisoleucinate
ZINC000253401252
ZINC253401252
Check stock
See real-time availability and sample size for STL545751 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.