Vitas-M small molecule compound
2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Catalog ID
STL026049
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C)nnc1c1cccc(c1)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/c1-4-11-25-20(16-8-6-10-18(13-16)27-3)23-24-21(25)28-14-19(26)22-17-9-5-7-15(2)12-17/h4-10,12-13H,1,11,14H2,2-3H3,(H,22,26)InChIKey
QIRUKGSSFUILOI-UHFFFAOYSA-NSynonyms
848928-57-42((4allyl5(3methoxyphenyl)4H124triazol3yl)thio)N(mtolyl)acetamide
2((5(3methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(3methylphenyl)acetamide
2((5(3METHOXYPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(3METHYLPHENYL)ACETAMIDE
2(5(3METHOXYPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))N(3METHYLPHENYL)ACETAMIDE
848928574
CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC
InChI=1SC21H22N4O2Sc14112520(16861018(1316)273)232421(25)281419(26)221795715(2)1217h4101213H11114H223H3(H2226)
MFCD05677980
ZINC000002444135
ZINC02444135
ZINC2444135
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