Vitas-M small molecule compound

methyl 3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-{4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}propanoate

Catalog ID
STL542737
SMILES COC(=O)CC(c1c(O)cc(n(c1=O)CCc1c[nH]c2c1cccc2)C)c1ccc2c(c1)n(C)c(=O)n2C

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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 C29H30N4O5 MW 514.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O5/c1-17-13-25(34)27(28(36)33(17)12-11-19-16-30-22-8-6-5-7-20(19)22)21(15-26(35)38-4)18-9-10-23-24(14-18)32(3)29(37)31(23)2/h5-10,13-14,16,21,30,34H,11-12,15H2,1-4H3
InChIKey
XFRVFESOPZAJPH-UHFFFAOYSA-N
Synonyms

110207347
COC(=O)CC(c1c(O)cc(n(c1=O)CCc1c(nH)c2c1cccc2)C)c1ccc2c(c1)n(C)c(=O)n2C
InChI=1SC29H30N4O5c1171325(34)27(28(36)33(17)121119163022865720(19)22)21(1526(35)384)189102324(1418)32(3)29(37)31(23)2h510131416213034H111215H214H3
METHYL3(1(2(1HINDOL3YL)ETHYL)4HYDROXY6METHYL2OXO12DIHYDROPYRIDIN3YL)3(13DIMETHYL2OXO23DIHYDRO1HBENZO(D)IMIDAZOL5YL)PROPANOATE
methyl3(13dimethyl2oxo23dihydro1Hbenzimidazol5yl)3(4hydroxy1(2(1Hindol3yl)ethyl)6methyl2oxo12dihydropyridin3yl)propanoate
methyl3(13dimethyl2oxobenzimidazol5yl)3(4hydroxy1(2(1~(H)indol3yl)ethyl)6methyl2oxopyridin3yl)propanoate
MFCD29056116
ZINC000253414352
ZINC000253414353

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Available files

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