Vitas-M small molecule compound
4-{[(4-ethyl-5-{1-[(2-methoxyphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}benzonitrile
Catalog ID
STK498050
SMILES COc1ccccc1NC(c1nnc(n1CC)SCC(=O)c1ccc(cc1)C#N)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 C22H23N5O2S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2S/c1-4-27-21(15(2)24-18-7-5-6-8-20(18)29-3)25-26-22(27)30-14-19(28)17-11-9-16(13-23)10-12-17/h5-12,15,24H,4,14H2,1-3H3InChIKey
YNCNEVLCYTUAJT-UHFFFAOYSA-NSynonyms
4(((4ethyl5(1((2methoxyphenyl)amino)ethyl)4H124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2((4ethyl5(1(2methoxyanilino)ethyl)124triazol3yl)sulfanyl)acetyl)benzonitrile
CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C#N)C(C)NC3=CC=CC=C3OC
InChI=1SC22H23N5O2Sc142721(15(2)2418756820(18)293)252622(27)301419(28)1711916(1323)101217h5121524H414H213H3
MFCD11855229
ZINC000032579498
ZINC000032579499
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