Vitas-M small molecule compound
4-({[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Catalog ID
STK245837
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)C#N)nnc1c1cccc(c1)OC
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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 C21H18N4O2S MW 390.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O2S/c1-3-11-25-20(17-5-4-6-18(12-17)27-2)23-24-21(25)28-14-19(26)16-9-7-15(13-22)8-10-16/h3-10,12H,1,11,14H2,2H3InChIKey
PFFMLGJONLWDBE-UHFFFAOYSA-NSynonyms
4(((5(3METHOXYPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)BENZONITRILE
4(2((5(3methoxyphenyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2(4ALLYL5(3METHOXYPHENYL)4H(124)TRIAZOL3YLSULFANYL)ACETYL)BENZONITRILE
COC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)C#N
InChI=1SC21H18N4O2Sc13112520(1754618(1217)272)232421(25)281419(26)169715(1322)81016h31012H11114H22H3
MFCD08670583
ZINC000009328199
ZINC09328199
ZINC9328199
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