Vitas-M small molecule compound
propan-2-yl 7-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK042953
SMILES COc1cc(ccc1OC)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC(C)C)c1ccccc1OC
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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)30-21-13-19(18-11-12-24(34-5)25(15-18)35-6)14-22(31)28(21)27(26)20-9-7-8-10-23(20)33-4/h7-12,15-16,19,27,30H,13-14H2,1-6H3InChIKey
MWPLONPJNKCEJD-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4OC)C(=O)OC(C)C
COc1cc(ccc1OC)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC(C)C)c1ccccc1OC
InChI=1SC29H33NO6c116(2)3629(32)2617(3)30211319(18111224(345)25(1518)356)1422(31)28(21)27(26)209781023(20)334h7121516192730H1314H216H3
MFCD02224292
propan2yl7(34dimethoxyphenyl)4(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl7(34dimethoxyphenyl)4(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK042953
ZINC000000647998
ZINC000000648008
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