Vitas-M small molecule compound

4-[({[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide

Catalog ID
STK575923
SMILES O=C(Nc1ccc(cc1)C(=O)N)CSc1nnc(n1c1ccc(cc1)C)c1cnccn1

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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 C22H19N7O2S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N7O2S/c1-14-2-8-17(9-3-14)29-21(18-12-24-10-11-25-18)27-28-22(29)32-13-19(30)26-16-6-4-15(5-7-16)20(23)31/h2-12H,13H2,1H3,(H2,23,31)(H,26,30)
InChIKey
VOYOCBDGWCOCSF-UHFFFAOYSA-N
Synonyms
896591-57-4
4((((4(4methylphenyl)5(pyrazin2yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzamide
4((2((4(4METHYLPHENYL)5PYRAZIN2YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZAMIDE
4(2((4(4METHYLPHENYL)5(PYRAZIN2YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZAMIDE
4(2((5(pyrazin2yl)4(ptolyl)4H124triazol3yl)thio)acetamido)benzamide
4(2(4(4METHYLPHENYL)5PYRAZIN2YL124TRIAZOL3YLTHIO)ACETYLAMINO)BENZAMIDE
896591574
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=NC=CN=C4
InChI=1SC22H19N7O2Sc1142817(9314)2921(18122410112518)272822(29)321319(30)26166415(5716)20(23)31h212H13H21H3(H22331)(H2630)
MFCD06594073
ZINC000002435965
ZINC02435965
ZINC2435965

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.