Vitas-M small molecule compound
3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-1H-isothiochromen-1-one
Catalog ID
STL561339
SMILES O=C(c1cc2ccccc2c(=O)s1)N1CCn2c(C1)nnc2C(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 C16H11F3N4O2S MW 380.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11F3N4O2S/c17-16(18,19)15-21-20-12-8-22(5-6-23(12)15)13(24)11-7-9-3-1-2-4-10(9)14(25)26-11/h1-4,7H,5-6,8H2InChIKey
MQWVDNPCJFJLPV-UHFFFAOYSA-NSynonyms
132285403
3((3(trifluoromethyl)56dihydro(124)triazolo(43a)pyrazin7(8H)yl)carbonyl)1Hisothiochromen1one
3(3(trifluoromethyl)5678tetrahydro(124)triazolo(43a)pyrazine7carbonyl)1Hisothiochromen1one
3(3(trifluoromethyl)68dihydro5H(124)triazolo(43a)pyrazine7carbonyl)isothiochromen1one
InChI=1SC16H11F3N4O2Sc1716(1819)15212012822(5623(12)15)13(24)1179312410(9)14(25)2611h147H568H2
MFCD32262713
ZINC000828147311
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