Vitas-M small molecule compound
3-methyl-N-({5-[(2-oxo-2-phenylethyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)benzamide
Catalog ID
STK218929
SMILES C=CCn1c(SCC(=O)c2ccccc2)nnc1CNC(=O)c1cccc(c1)C
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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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-3-12-26-20(14-23-21(28)18-11-7-8-16(2)13-18)24-25-22(26)29-15-19(27)17-9-5-4-6-10-17/h3-11,13H,1,12,14-15H2,2H3,(H,23,28)InChIKey
LUSWXAVTNWOLIL-UHFFFAOYSA-NSynonyms
3METHYLN((5((2OXO2PHENYLETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
3METHYLN((5PHENACYLSULFANYL4PROP2ENYL124TRIAZOL3YL)METHYL)BENZAMIDE
CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3
InChI=1SC22H22N4O2Sc13122620(142321(28)18117816(2)1318)242522(26)291519(27)1795461017h31113H1121415H22H3(H2328)
MFCD06000328
ZINC000001074807
ZINC01074807
ZINC1074807
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