Vitas-M small molecule compound
2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK826679
SMILES COc1ccc(cc1)C(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1cc(OC)c(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 C30H32N2O6S MW 548.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O6S/c1-30(2)13-21-27(22(33)14-30)26(18-11-24(36-4)28(38-6)25(12-18)37-5)20(15-31)29(32-21)39-16-23(34)17-7-9-19(35-3)10-8-17/h7-12,26,32H,13-14,16H2,1-6H3InChIKey
NRTAASULFWLHJG-UHFFFAOYSA-NSynonyms
2((2(4methoxyphenyl)2oxoethyl)sulfanyl)77dimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2(2(4methoxyphenyl)2oxoethyl)sulfanyl77dimethyl5oxo4(345trimethoxyphenyl)1468tetrahydroquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2)SCC(=O)C3=CC=C(C=C3)OC)C#N)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C
InChI=1SC30H32N2O6Sc130(2)132127(22(33)1430)26(181124(364)28(386)25(1218)375)20(1531)29(3221)391623(34)177919(353)10817h7122632H131416H216H3
MFCD18169650
ZINC000102808189
ZINC000102808191
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