Vitas-M small molecule compound
propan-2-yl 4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK074412
SMILES COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC(C)C)c1ccc(c(c1)OC)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 C29H33NO6 MW 491.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6/c1-16(2)36-29(32)26-17(3)30-22-13-20(18-7-10-21(33-4)11-8-18)14-23(31)28(22)27(26)19-9-12-24(34-5)25(15-19)35-6/h7-12,15-16,20,27,30H,13-14H2,1-6H3InChIKey
BCOGXURRRVNMRV-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OC)OC)C(=O)OC(C)C
COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC(C)C)c1ccc(c(c1)OC)OC
InChI=1SC29H33NO6c116(2)3629(32)2617(3)30221320(1871021(334)11818)1423(31)28(22)27(26)1991224(345)25(1519)356h7121516202730H1314H216H3
MFCD01445621
propan2yl4(34dimethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(34dimethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK074412
ZINC000019855291
ZINC000019855297
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