Vitas-M small molecule compound
2-{[5-{[(4-methylphenyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Catalog ID
STK958673
SMILES C=CCn1c(CNc2ccc(cc2)C)nnc1SCC(=O)c1ccccc1
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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 C21H22N4OS MW 378.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4OS/c1-3-13-25-20(14-22-18-11-9-16(2)10-12-18)23-24-21(25)27-15-19(26)17-7-5-4-6-8-17/h3-12,22H,1,13-15H2,2H3InChIKey
DTIVARGBHHGTBI-UHFFFAOYSA-NSynonyms
438467-15-32((4ALLYL5(4TOLUIDINOMETHYL)4H124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2((5(((4methylphenyl)amino)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1phenylethanone
2((5((4METHYLANILINO)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
438467153
CC1=CC=C(C=C1)NCC2=NN=C(N2CC=C)SCC(=O)C3=CC=CC=C3
InChI=1SC21H22N4OSc13132520(14221811916(2)101218)232421(25)271519(26)177546817h31222H11315H22H3
MFCD01614847
ZINC000000673187
ZINC00673187
ZINC673187
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