Vitas-M small molecule compound
4-({[1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]carbonyl}amino)phenyl thiocyanate
Catalog ID
STK953079
SMILES N#CSc1ccc(cc1)NC(=O)c1nnn(c1C)c1ccc(c(c1)C)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 C19H17N5OS MW 363.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5OS/c1-12-4-7-16(10-13(12)2)24-14(3)18(22-23-24)19(25)21-15-5-8-17(9-6-15)26-11-20/h4-10H,1-3H3,(H,21,25)InChIKey
ZSIRWXZJCGMCNP-UHFFFAOYSA-NSynonyms
(1(34DIMETHYLPHENYL)5METHYL(123TRIAZOL4YL))N(4CYANOTHIOPHENYL)CARBOXAMIDE
(4((1(34DIMETHYLPHENYL)5METHYLTRIAZOLE4CARBONYL)AMINO)PHENYL)THIOCYANATE
4(((1(34dimethylphenyl)5methyl1H123triazol4yl)carbonyl)amino)phenylthiocyanate
CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NC3=CC=C(C=C3)SC#N)C)C
InChI=1SC19H17N5OSc1124716(1013(12)2)2414(3)18(222324)19(25)21155817(9615)261120h410H13H3(H2125)
MFCD08568782
ZINC000008021925
ZINC08021925
ZINC8021925
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