Vitas-M small molecule compound
2-{[5-(4-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Catalog ID
STL293679
SMILES C=CCn1c(SCC(=O)Nc2ccc(c(c2)C)C)nnc1c1ccc(cc1)Cl
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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(16-6-8-17(22)9-7-16)24-25-21(26)28-13-19(27)23-18-10-5-14(2)15(3)12-18/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)InChIKey
XRXUTSINJZVODL-UHFFFAOYSA-NSynonyms
849018-93-52((4allyl5(4chlorophenyl)4H124triazol3yl)thio)N(34dimethylphenyl)acetamide
2((5(4chlorophenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(34dimethylphenyl)acetamide
2((5(4CHLOROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(34DIMETHYLPHENYL)ACETAMIDE
849018935
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl)C
InChI=1SC21H21ClN4OSc14112620(166817(22)9716)242521(26)281319(27)231810514(2)15(3)1218h41012H11113H223H3(H2327)
MFCD04343336
ZINC000002452720
ZINC02452720
ZINC2452720
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