Vitas-M small molecule compound
2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STL417316
SMILES COc1ccc(cc1)n1c(SCC(=O)N2CCCC2)nnc1c1ccccc1
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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/c1-27-18-11-9-17(10-12-18)25-20(16-7-3-2-4-8-16)22-23-21(25)28-15-19(26)24-13-5-6-14-24/h2-4,7-12H,5-6,13-15H2,1H3InChIKey
IKJUIQKHEQNSST-UHFFFAOYSA-NSynonyms
482657-29-42((4(4METHOXYPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)1PYRROLIDIN1YLETHANONE
2((4(4methoxyphenyl)5phenyl4H124triazol3yl)sulfanyl)1(pyrrolidin1yl)ethanone
482657294
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=CC=CC=C4
InChI=1SC21H22N4O2Sc1271811917(101218)2520(167324816)222321(25)281519(26)2413561424h24712H561315H21H3
MFCD02588965
ZINC000003399949
ZINC03399949
ZINC3399949
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