Vitas-M small molecule compound
2-{[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Catalog ID
STL297393
SMILES C=CCn1c(SCC(=O)Nc2ccc(c(c2)C)C)nnc1c1ccccc1Cl
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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 C21H21ClN4OS MW 412.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4OS/c1-4-11-26-20(17-7-5-6-8-18(17)22)24-25-21(26)28-13-19(27)23-16-10-9-14(2)15(3)12-16/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)InChIKey
DSRJWSPSPVWIMD-UHFFFAOYSA-NSynonyms
861117-94-42((4allyl5(2chlorophenyl)4H124triazol3yl)thio)N(34dimethylphenyl)acetamide
2((5(2chlorophenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(34dimethylphenyl)acetamide
2((5(2CHLOROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(34DIMETHYLPHENYL)ACETAMIDE
861117944
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3Cl)C
InChI=1SC21H21ClN4OSc14112620(17756818(17)22)242521(26)281319(27)231610914(2)15(3)1216h41012H11113H223H3(H2327)
MFCD05683138
ZINC000005477913
ZINC05477913
ZINC5477913
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