Vitas-M small molecule compound

N-(4-chlorophenyl)-2-{[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK020920
SMILES O=C(Nc1ccc(cc1)Cl)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 C22H18ClN5OS MW 435.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN5OS/c1-15-2-8-19(9-3-15)28-21(16-10-12-24-13-11-16)26-27-22(28)30-14-20(29)25-18-6-4-17(23)5-7-18/h2-13H,14H2,1H3,(H,25,29)
InChIKey
SOCYTDBCUQPJEQ-UHFFFAOYSA-N
Synonyms
482640-27-7
482640277
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Cl)C4=CC=NC=C4
InChI=1SC22H18ClN5OSc1152819(9315)2821(16101224131116)262722(28)301420(29)25186417(23)5718h213H14H21H3(H2529)
MFCD02227132
N(4CHLOROPHENYL)2((4(4METHYLPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4CHLOROPHENYL)2((4(4METHYLPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4CHLOROPHENYL)2((4(4METHYLPHENYL)5PYRIDIN4YL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4chlorophenyl)2((5(pyridin4yl)4(ptolyl)4H124triazol3yl)thio)acetamide
N(4CHLOROPHENYL)2(4(4METHYLPHENYL)5(4PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(Nc1ccc(cc1)Cl)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1
STK020920
ZINC000000907644
ZINC00907644
ZINC907644

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Available files

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