Vitas-M small molecule compound
propan-2-yl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363678
SMILES COc1ccc(c(c1)C1C2=C(CC(CC2=O)c2ccccc2)NC(=C1C(=O)OC(C)C)C)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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-16(2)34-28(31)25-17(3)29-22-13-19(18-9-7-6-8-10-18)14-23(30)27(22)26(25)21-15-20(32-4)11-12-24(21)33-5/h6-12,15-16,19,26,29H,13-14H2,1-5H3InChIKey
BDIRTTXPYYSWFV-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=C(C=CC(=C4)OC)OC)C(=O)OC(C)C
InChI=1SC28H31NO5c116(2)3428(31)2517(3)29221319(1897681018)1423(30)27(22)26(25)211520(324)111224(21)335h6121516192629H1314H215H3
MFCD00771298
propan2yl4(25dimethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
propan2yl4(25dimethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
ZINC000019761536
ZINC000019761545
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