Vitas-M small molecule compound
propan-2-yl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402785
SMILES COc1c(OC)cc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC(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 C27H31NO6S MW 497.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO6S/c1-14(2)34-27(30)23-15(3)28-18-10-16(22-8-7-9-35-22)11-19(29)25(18)24(23)17-12-20(31-4)26(33-6)21(13-17)32-5/h7-9,12-14,16,24,28H,10-11H2,1-6H3InChIKey
WXPUMAVDFOCUSY-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC(C)C
InChI=1SC27H31NO6Sc114(2)3427(30)2315(3)28181016(228793522)1119(29)25(18)24(23)171220(314)26(336)21(1317)325h791214162428H1011H216H3
MFCD02868494
propan2yl2methyl5oxo7(thiophen2yl)4(345trimethoxyphenyl)145678hexahydroquinoline3carboxylate
propan2yl2methyl5oxo7thiophen2yl4(345trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
ZINC000000781233
ZINC000000781236
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