Vitas-M small molecule compound
2-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-9-ethyl-8-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL396145
SMILES CCc1c(C)sc2c1c1nc(nn1cn2)Cn1nc(c(c1C)Cl)C(F)(F)F
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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 C16H14ClF3N6S MW 414.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClF3N6S/c1-4-9-8(3)27-15-11(9)14-22-10(23-26(14)6-21-15)5-25-7(2)12(17)13(24-25)16(18,19)20/h6H,4-5H2,1-3H3InChIKey
SKZQNBQRGAUAFZ-UHFFFAOYSA-NSynonyms
1005651-43-31005651433
2((4CHLORO5METHYL3(TRIFLUOROMETHYL)1HPYRAZOL1YL)METHYL)9ETHYL8METHYLTHIENO(32E)(124)TRIAZOLO(15C)PYRIMIDINE
CCC1=C(SC2=C1C3=NC(=NN3C=N2)CN4C(=C(C(=N4)C(F)(F)F)Cl)C)C
InChI=1SC16H14ClF3N6Sc1498(3)271511(9)142210(2326(14)62115)5257(2)12(17)13(2425)16(1819)20h6H45H213H3
MFCD04056285
ZINC000002789875
ZINC02789875
ZINC2789875
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