Vitas-M small molecule compound

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

Catalog ID
STK599637
SMILES COc1ccccc1NC(=O)CSc1nnc(n1Cc1ccco1)c1cccc(c1)Cl

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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 C22H19ClN4O3S MW 454.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O3S/c1-29-19-10-3-2-9-18(19)24-20(28)14-31-22-26-25-21(15-6-4-7-16(23)12-15)27(22)13-17-8-5-11-30-17/h2-12H,13-14H2,1H3,(H,24,28)
InChIKey
YXPPTTOPVQIMCO-UHFFFAOYSA-N
Synonyms
896079-27-9
2((5(3CHLOROPHENYL)4(FURAN2YLMETHYL)124TRIAZOL3YL)SULFANYL)N(2METHOXYPHENYL)ACETAMIDE
2((5(3chlorophenyl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)N(2methoxyphenyl)acetamide
2((5(3chlorophenyl)4(furan2ylmethyl)4H124triazol3yl)thio)N(2methoxyphenyl)acetamide
2(5(3CHLOROPHENYL)4(2FURYLMETHYL)(124TRIAZOL3YLTHIO))N(2METHOXYPHENYL)ACETAMIDE
896079279
COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)Cl
InChI=1SC22H19ClN4O3Sc129191032918(19)2420(28)143122262521(1564716(23)1215)27(22)131785113017h212H1314H21H3(H2428)
MFCD06592642
ZINC000002438923
ZINC02438923
ZINC2438923

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Available files

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