Vitas-M small molecule compound
2-[5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK151594
SMILES C=CCn1c(nnc1SCC(=O)c1ccc(cc1)Br)CC(=O)Nc1cccc(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 C22H18BrF3N4O2S MW 539.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrF3N4O2S/c1-2-10-30-19(12-20(32)27-17-5-3-4-15(11-17)22(24,25)26)28-29-21(30)33-13-18(31)14-6-8-16(23)9-7-14/h2-9,11H,1,10,12-13H2,(H,27,32)InChIKey
QHBVRYULYDAKAV-UHFFFAOYSA-NSynonyms
2(4ALLYL5(2(4BROMOPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YL)N(3TRIFLUOROMETHYLPHENYL)ACETAMIDE
2(5((2(4BROMOPHENYL)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)N(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
2(5(2(4BROMOPHENYL)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)N(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CC(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI=1SC22H18BrF3N4O2Sc12103019(1220(32)271753415(1117)22(2425)26)282921(30)331318(31)146816(23)9714h2911H1101213H2(H2732)
MFCD05998946
ZINC000002867074
ZINC2867074
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