Vitas-M small molecule compound
2-{[4-(3,4-dimethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STL375662
SMILES O=C(N1CCCC1)CSc1nnc(n1c1ccc(c(c1)C)C)C
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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 C17H22N4OS MW 330.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4OS/c1-12-6-7-15(10-13(12)2)21-14(3)18-19-17(21)23-11-16(22)20-8-4-5-9-20/h6-7,10H,4-5,8-9,11H2,1-3H3InChIKey
PHNABWSADRNUGR-UHFFFAOYSA-NSynonyms
2((4(34DIMETHYLPHENYL)5METHYL124TRIAZOL3YL)SULFANYL)1PYRROLIDIN1YLETHANONE
2((4(34dimethylphenyl)5methyl4H124triazol3yl)sulfanyl)1(pyrrolidin1yl)ethanone
CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3)C)C
InChI=1SC17H22N4OSc1126715(1013(12)2)2114(3)181917(21)231116(22)20845920h6710H458911H213H3
MFCD03862236
ZINC000000479271
ZINC00479271
ZINC479271
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