Vitas-M small molecule compound

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

Catalog ID
STK028706
SMILES COc1cccc(c1)NC(=O)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 C23H21N5O2S MW 431.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O2S/c1-16-6-8-19(9-7-16)28-22(17-10-12-24-13-11-17)26-27-23(28)31-15-21(29)25-18-4-3-5-20(14-18)30-2/h3-14H,15H2,1-2H3,(H,25,29)
InChIKey
NHFBFOVRNCFDIR-UHFFFAOYSA-N
Synonyms
499124-69-5
499124695
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC=C3)OC)C4=CC=NC=C4
COc1cccc(c1)NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccncc1
InChI=1SC23H21N5O2Sc1166819(9716)2822(17101224131117)262723(28)311521(29)251843520(1418)302h314H15H212H3(H2529)
MFCD03224361
N(3METHOXYPHENYL)2((4(4METHYLPHENYL)5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3methoxyphenyl)2((4(4methylphenyl)5pyridin4yl124triazol3yl)sulfanyl)acetamide
N(3methoxyphenyl)2((5(pyridin4yl)4(ptolyl)4H124triazol3yl)thio)acetamide
N(3METHOXYPHENYL)2(4(4METHYLPHENYL)5(4PYRIDYL)(124TRIAZOL3YLTHIO))ACETAMIDE
STK028706
ZINC000000949962
ZINC00949962
ZINC949962

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Available files

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