Vitas-M small molecule compound
4-methoxybenzyl 4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402989
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1cccc(c1OC)OC)C(=O)CC(C2)c1cccs1
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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 C31H31NO6S MW 545.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO6S/c1-18-27(31(34)38-17-19-10-12-21(35-2)13-11-19)28(22-7-5-8-25(36-3)30(22)37-4)29-23(32-18)15-20(16-24(29)33)26-9-6-14-39-26/h5-14,20,28,32H,15-17H2,1-4H3InChIKey
BLRALXGGQVFQMF-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl4(23dimethoxyphenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
4methoxybenzyl4(23dimethoxyphenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C(=CC=C4)OC)OC)C(=O)OCC5=CC=C(C=C5)OC
InChI=1SC31H31NO6Sc11827(31(34)381719101221(352)131119)28(2275825(363)30(22)374)2923(3218)1520(1624(29)33)2696143926h514202832H1517H214H3
MFCD03371011
ZINC000001074662
ZINC000001074667
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