Vitas-M small molecule compound
2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Catalog ID
STK400754
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C)nnc1c1ccc(cc1)OC
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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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-4-12-25-20(16-8-10-18(27-3)11-9-16)23-24-21(25)28-14-19(26)22-17-7-5-6-15(2)13-17/h4-11,13H,1,12,14H2,2-3H3,(H,22,26)InChIKey
XQSCBEMCMQQFKB-UHFFFAOYSA-NSynonyms
2((5(4methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(3methylphenyl)acetamide
2((5(4METHOXYPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(3METHYLPHENYL)ACETAMIDE
2(5(4METHOXYPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))N(3METHYLPHENYL)ACETAMIDE
CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)OC
InChI=1SC21H22N4O2Sc14122520(1681018(273)11916)232421(25)281419(26)221775615(2)1317h41113H11214H223H3(H2226)
MFCD04342604
ZINC000005855420
ZINC05855420
ZINC5855420
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