Vitas-M small molecule compound
2-fluoro-N-{[5-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK186897
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)OC)nnc1CNC(=O)c1ccccc1F
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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 C22H21FN4O3S MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN4O3S/c1-3-12-27-20(13-24-21(29)17-6-4-5-7-18(17)23)25-26-22(27)31-14-19(28)15-8-10-16(30-2)11-9-15/h3-11H,1,12-14H2,2H3,(H,24,29)InChIKey
QHMXQNPNGIGHTI-UHFFFAOYSA-NSynonyms
2FLUORON((5((2(4METHOXYPHENYL)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2FLUORON((5(2(4METHOXYPHENYL)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3F
InChI=1SC22H21FN4O3Sc13122720(132421(29)17645718(17)23)252622(27)311419(28)1581016(302)11915h311H11214H22H3(H2429)
MFCD06006777
ZINC000002879127
ZINC02879127
ZINC2879127
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