Vitas-M small molecule compound
2-{[(7,8-dimethyl-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Catalog ID
STL009619
SMILES N#Cc1c(SCc2cc(=O)oc3c2ccc(c3C)C)nc2c(c1C(F)(F)F)CCCC2
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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 C23H19F3N2O2S MW 444.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19F3N2O2S/c1-12-7-8-15-14(9-19(29)30-21(15)13(12)2)11-31-22-17(10-27)20(23(24,25)26)16-5-3-4-6-18(16)28-22/h7-9H,3-6,11H2,1-2H3InChIKey
BMQHXQPBMYGXPH-UHFFFAOYSA-NSynonyms
905787-22-62(((78dimethyl2oxo2Hchromen4yl)methyl)sulfanyl)4(trifluoromethyl)5678tetrahydroquinoline3carbonitrile
2(((78dimethyl2oxo2Hchromen4yl)methyl)thio)4(trifluoromethyl)5678tetrahydroquinoline3carbonitrile
2((78dimethyl2oxochromen4yl)methylsulfanyl)4(trifluoromethyl)5678tetrahydroquinoline3carbonitrile
905787226
CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(CCCC4)C(=C3C#N)C(F)(F)F)C
InChI=1SC23H19F3N2O2Sc112781514(919(29)3021(15)13(12)2)11312217(1027)20(23(2425)26)16534618(16)2822h79H3611H212H3
MFCD08844872
ZINC000008993035
ZINC08993035
ZINC8993035
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