Vitas-M small molecule compound

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

Catalog ID
STK046987
SMILES O=C(Nc1ccc(cc1)C(=O)N)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1

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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 C23H20N6O2S MW 444.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N6O2S/c1-15-2-8-19(9-3-15)29-22(17-10-12-25-13-11-17)27-28-23(29)32-14-20(30)26-18-6-4-16(5-7-18)21(24)31/h2-13H,14H2,1H3,(H2,24,31)(H,26,30)
InChIKey
GQXPZCVBAJAMTC-UHFFFAOYSA-N
Synonyms
499124-64-0
4((((4(4METHYLPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZAMIDE
4((2((4(4methylphenyl)5pyridin4yl124triazol3yl)sulfanyl)acetyl)amino)benzamide
4(2((4(4METHYLPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDO)BENZAMIDE
4(2((5(PYRIDIN4YL)4(PTOLYL)4H124TRIAZOL3YL)THIO)ACETAMIDO)BENZAMIDE
4(2(4(4METHYLPHENYL)5(4PYRIDYL)124TRIAZOL3YLTHIO)ACETYLAMINO)BENZAMIDE
499124640
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=NC=C4
InChI=1SC23H20N6O2Sc1152819(9315)2922(17101225131117)272823(29)321420(30)26186416(5718)21(24)31h213H14H21H3(H22431)(H2630)
MFCD03224352
O=C(Nc1ccc(cc1)C(=O)N)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1
STK046987
ZINC000000949961
ZINC00949961
ZINC949961

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Available files

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