Vitas-M small molecule compound

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

Catalog ID
STL340203
SMILES O=C(Nc1ccc(c(c1)C)C)CSc1nnc(n1Cc1ccco1)c1ccccn1

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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 C22H21N5O2S MW 419.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O2S/c1-15-8-9-17(12-16(15)2)24-20(28)14-30-22-26-25-21(19-7-3-4-10-23-19)27(22)13-18-6-5-11-29-18/h3-12H,13-14H2,1-2H3,(H,24,28)
InChIKey
VERAVZHFSVAIEC-UHFFFAOYSA-N
Synonyms
573695-55-3
573695553
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CO3)C4=CC=CC=N4)C
InChI=1SC22H21N5O2Sc1158917(1216(15)2)2420(28)143022262521(19734102319)27(22)131865112918h312H1314H212H3(H2428)
MFCD04017657
N(34dimethylphenyl)2((4(furan2ylmethyl)5(pyridin2yl)4H124triazol3yl)sulfanyl)acetamide
N(34dimethylphenyl)2((4(furan2ylmethyl)5(pyridin2yl)4H124triazol3yl)thio)acetamide
N(34DIMETHYLPHENYL)2((4(FURAN2YLMETHYL)5PYRIDIN2YL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(34DIMETHYLPHENYL)2(4(2FURYLMETHYL)5(2PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002366740
ZINC02366740
ZINC2366740

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Available files

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