Vitas-M small molecule compound
4-propyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
Catalog ID
STK491527
SMILES CCCn1c(nnc1c1csc2c1CCCC2)SCc1cccc(c1)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 C21H22F3N3S2 MW 437.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N3S2/c1-2-10-27-19(17-13-28-18-9-4-3-8-16(17)18)25-26-20(27)29-12-14-6-5-7-15(11-14)21(22,23)24/h5-7,11,13H,2-4,8-10,12H2,1H3InChIKey
STXFUMHGWSZNBE-UHFFFAOYSA-NSynonyms
4propyl3(4567tetrahydro1benzothiophen3yl)5((3(trifluoromethyl)benzyl)sulfanyl)4H124triazole
4propyl3(4567tetrahydro1benzothiophen3yl)5((3(trifluoromethyl)phenyl)methylsulfanyl)124triazole
CCCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C3=CSC4=C3CCCC4
InChI=1SC21H22F3N3S2c12102719(17132818943816(17)18)252620(27)29121465715(1114)21(2223)24h571113H2481012H21H3
MFCD06141979
ZINC000014053349
ZINC14053349
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