Vitas-M small molecule compound
N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[2-(hydroxymethyl)-1H-benzimidazol-6-yl]valinamide
Catalog ID
STL546012
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)Nc2ccc3c(c2)[nH]c(n3)CO)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 C34H39N5O7 MW 629.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N5O7/c1-17(2)31(34(43)36-20-8-11-24-26(14-20)38-29(16-40)37-24)39-25-12-9-21-22(15-27(25)42)23(35-18(3)41)10-7-19-13-28(44-4)32(45-5)33(46-6)30(19)21/h8-9,11-15,17,23,31,40H,7,10,16H2,1-6H3,(H,35,41)(H,36,43)(H,37,38)(H,39,42)InChIKey
NWRQHIBOQXRLME-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2(hydroxymethyl)1Hbenzo(d)imidazol5yl)3methylbutanamide
122169699
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(hydroxymethyl)3~(H)benzimidazol5yl)3methylbutanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2ccc3c(c2)nc((nH)3)CO)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC34H39N5O7c117(2)31(34(43)36208112426(1420)3829(1640)3724)39251292122(1527(25)42)23(3518(3)41)107191328(444)32(455)33(466)30(19)21h89111517233140H71016H216H3(H3541)(H3643)(H3738)(H3942)
MFCD31756339
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(hydroxymethyl)1Hbenzimidazol6yl)valinamide
ZINC000263585919
ZINC000409414662
Check stock
See real-time availability and sample size for STL546012 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.