Vitas-M small molecule compound

4-[({5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}carbonyl)amino]phenyl thiocyanate

Catalog ID
STL017808
SMILES N#CSc1ccc(cc1)NC(=O)c1nnn(c1C)c1ccc(cc1)C(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 C20H19N5OS MW 377.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5OS/c1-13(2)15-4-8-17(9-5-15)25-14(3)19(23-24-25)20(26)22-16-6-10-18(11-7-16)27-12-21/h4-11,13H,1-3H3,(H,22,26)
InChIKey
YVZLYBOOUTVSFY-UHFFFAOYSA-N
Synonyms
904815-29-8
(4((5METHYL1(4PROPAN2YLPHENYL)TRIAZOLE4CARBONYL)AMINO)PHENYL)THIOCYANATE
1(4ISOPROPYLPHENYL)5METHYLN(4THIOCYANATOPHENYL)1H123TRIAZOLE4CARBOXAMIDE
4(((5methyl1(4(propan2yl)phenyl)1H123triazol4yl)carbonyl)amino)phenylthiocyanate
904815298
CC1=C(N=NN1C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC=C(C=C3)SC#N
InChI=1SC20H19N5OSc113(2)154817(9515)2514(3)19(232425)20(26)221661018(11716)271221h41113H13H3(H2226)
MFCD08543239
N(4CYANOTHIOPHENYL)(5METHYL1(4(METHYLETHYL)PHENYL)(123TRIAZOL4YL))CARBOXAMIDE
ZINC000008022155
ZINC08022155
ZINC8022155

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Available files

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