Vitas-M small molecule compound
2-chloro-N-[3-(4-methyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]benzamide
Catalog ID
STL352327
SMILES O=C(N1CCCC1)CSc1nnc(n1C)c1cccc(c1)NC(=O)c1ccccc1Cl
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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 C22H22ClN5O2S MW 455.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O2S/c1-27-20(25-26-22(27)31-14-19(29)28-11-4-5-12-28)15-7-6-8-16(13-15)24-21(30)17-9-2-3-10-18(17)23/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,24,30)InChIKey
YVCFMVVVZHLIAD-UHFFFAOYSA-NSynonyms
511308-32-02chloroN(3(4methyl5((2oxo2(pyrrolidin1yl)ethyl)sulfanyl)4H124triazol3yl)phenyl)benzamide
2chloroN(3(4methyl5((2oxo2(pyrrolidin1yl)ethyl)thio)4H124triazol3yl)phenyl)benzamide
2CHLORON(3(4METHYL5(2OXO2PYRROLIDIN1YLETHYL)SULFANYL124TRIAZOL3YL)PHENYL)BENZAMIDE
511308320
CN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4Cl
InChI=1SC22H22ClN5O2Sc12720(252622(27)311419(29)2811451228)1576816(1315)2421(30)179231018(17)23h2361013H45111214H21H3(H2430)
MFCD03490062
ZINC000002203899
ZINC02203899
ZINC2203899
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