Vitas-M small molecule compound
4-({[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
Catalog ID
STK245816
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)C#N)nnc1c1ccccc1C
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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 C21H18N4OS MW 374.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4OS/c1-3-12-25-20(18-7-5-4-6-15(18)2)23-24-21(25)27-14-19(26)17-10-8-16(13-22)9-11-17/h3-11H,1,12,14H2,2H3InChIKey
BPCKRJYETGTWDF-UHFFFAOYSA-NSynonyms
4(((5(2METHYLPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)BENZONITRILE
4(2((5(2methylphenyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)benzonitrile
4(2(4ALLYL5OTOLYL4H(124)TRIAZOL3YLSULFANYL)ACETYL)BENZONITRILE
CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)C#N
InChI=1SC21H18N4OSc13122520(18754615(18)2)232421(25)271419(26)1710816(1322)91117h311H11214H22H3
MFCD08670560
ZINC000009328157
ZINC09328157
ZINC9328157
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