Vitas-M small molecule compound
2-{[(3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
Catalog ID
STK769601
SMILES CC1(C)N=C(CSc2nc3CCCCc3c(n2)C(F)(F)F)c2c(C1)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 C21H22F3N3S MW 405.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N3S/c1-20(2)11-13-7-3-4-8-14(13)17(27-20)12-28-19-25-16-10-6-5-9-15(16)18(26-19)21(22,23)24/h3-4,7-8H,5-6,9-12H2,1-2H3InChIKey
YKNJGKMVPZNLIX-UHFFFAOYSA-NSynonyms
2(((33dimethyl34dihydroisoquinolin1yl)methyl)sulfanyl)4(trifluoromethyl)5678tetrahydroquinazoline
2((33dimethyl4Hisoquinolin1yl)methylsulfanyl)4(trifluoromethyl)5678tetrahydroquinazoline
CC1(CC2=CC=CC=C2C(=N1)CSC3=NC4=C(CCCC4)C(=N3)C(F)(F)F)C
InChI=1SC21H22F3N3Sc120(2)1113734814(13)17(2720)12281925161065915(16)18(2619)21(2223)24h3478H56912H212H3
MFCD03409394
ZINC000004452324
ZINC04452324
ZINC4452324
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