Vitas-M small molecule compound
4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK525683
SMILES N#CC1=C(SCC(=O)c2ccccc2)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(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 C28H28N2O4S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O4S/c1-28(2)13-20-26(21(31)14-28)25(18-10-11-23(33-3)24(12-18)34-4)19(15-29)27(30-20)35-16-22(32)17-8-6-5-7-9-17/h5-12,25,30H,13-14,16H2,1-4H3InChIKey
NOBVXUTUNBWGPQ-UHFFFAOYSA-NSynonyms
305383-91-9305383919
4(34dimethoxyphenyl)77dimethyl5oxo2((2oxo2phenylethyl)sulfanyl)145678hexahydroquinoline3carbonitrile
4(34dimethoxyphenyl)77dimethyl5oxo2((2oxo2phenylethyl)thio)145678hexahydroquinoline3carbonitrile
4(34dimethoxyphenyl)77dimethyl5oxo2phenacylsulfanyl1468tetrahydroquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C
InChI=1SC28H28N2O4Sc128(2)132026(21(31)1428)25(18101123(333)24(1218)344)19(1529)27(3020)351622(32)178657917h5122530H131416H214H3
ZINC000008934514
ZINC000008934515
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