Vitas-M small molecule compound
2-(benzylsulfanyl)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Catalog ID
STK202801
SMILES N#Cc1c(SCc2ccccc2)nc2c(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 C27H26N2O3S MW 458.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3S/c1-27(2)13-20-25(21(30)14-27)24(18-10-11-22(31-3)23(12-18)32-4)19(15-28)26(29-20)33-16-17-8-6-5-7-9-17/h5-12H,13-14,16H2,1-4H3InChIKey
OLFSQKHGKSIPRZ-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)4(34dimethoxyphenyl)77dimethyl5oxo5678tetrahydroquinoline3carbonitrile
2benzylsulfanyl4(34dimethoxyphenyl)77dimethyl5oxo68dihydroquinoline3carbonitrile
4(34DIMETHOXYPHENYL)77DIMETHYL5OXO2(PHENYLMETHYLTHIO)678TRIHYDROQUINOLINE3CARBONITRILE
CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SCC3=CC=CC=C3)C#N)C4=CC(=C(C=C4)OC)OC)C
InChI=1SC27H26N2O3Sc127(2)132025(21(30)1427)24(18101122(313)23(1218)324)19(1528)26(2920)3316178657917h512H131416H214H3
MFCD06649402
ZINC000009971045
ZINC09971045
ZINC9971045
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