Vitas-M small molecule compound
(2E)-3-(4-methoxyphenyl)-1-{3-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}prop-2-en-1-one
Catalog ID
STK806794
SMILES COc1ccc(cc1)/C=C/C(=O)n1cnnc1SCC(=O)c1ccccc1
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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 C20H17N3O3S MW 379.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O3S/c1-26-17-10-7-15(8-11-17)9-12-19(25)23-14-21-22-20(23)27-13-18(24)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3/b12-9+InChIKey
ALLAEVITLXFYHG-FMIVXFBMSA-NSynonyms
324779-90-0(2E)3(4methoxyphenyl)1(3((2oxo2phenylethyl)sulfanyl)4H124triazol4yl)prop2en1one
(2E)3(4METHOXYPHENYL)1(3(2OXO2PHENYLETHYLTHIO)(124TRIAZOL4YL))PROP2EN1ONE
(E)3(4methoxyphenyl)1(3((2oxo2phenylethyl)thio)4H124triazol4yl)prop2en1one
(E)3(4METHOXYPHENYL)1(3PHENACYLSULFANYL124TRIAZOL4YL)PROP2EN1ONE
324779900
COC1=CC=C(C=C1)C=CC(=O)N2C=NN=C2SCC(=O)C3=CC=CC=C3
COc1ccc(cc1)C=CC(=O)n1cnnc1SCC(=O)c1ccccc1
InChI=1SC20H17N3O3Sc1261710715(81117)91219(25)2314212220(23)271318(24)165324616h21214H13H21H3b129+
MFCD01795577
ZINC000004134805
ZINC04134805
ZINC4134805
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