Vitas-M small molecule compound
propan-2-yl 7-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK033545
SMILES CCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC(C)C)C
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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 C30H35NO6 MW 505.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO6/c1-7-36-24-11-9-8-10-21(24)28-27(30(33)37-17(2)3)18(4)31-22-14-20(15-23(32)29(22)28)19-12-13-25(34-5)26(16-19)35-6/h8-13,16-17,20,28,31H,7,14-15H2,1-6H3InChIKey
VTHXOXAHYDQKSD-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OC(C)C)C
CCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC(C)C)C
InChI=1SC30H35NO6c17362411981021(24)2827(30(33)3717(2)3)18(4)31221420(1523(32)29(22)28)19121325(345)26(1619)356h8131617202831H71415H216H3
MFCD02224277
propan2yl7(34dimethoxyphenyl)4(2ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl7(34dimethoxyphenyl)4(2ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK033545
ZINC000006197128
ZINC000006197164
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