Vitas-M small molecule compound

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

Catalog ID
STK848375
SMILES COc1cc(Cl)c(cc1NC(=O)CSc1nnc(n1CC)c1ccccc1OC)C

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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 C21H23ClN4O3S MW 446.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClN4O3S/c1-5-26-20(14-8-6-7-9-17(14)28-3)24-25-21(26)30-12-19(27)23-16-10-13(2)15(22)11-18(16)29-4/h6-11H,5,12H2,1-4H3,(H,23,27)
InChIKey
ARSZGJNYEVWVAX-UHFFFAOYSA-N
Synonyms
727711-94-6
727711946
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)Cl)OC)C3=CC=CC=C3OC
InChI=1SC21H23ClN4O3Sc152620(14867917(14)283)242521(26)301219(27)23161013(2)15(22)1118(16)294h611H512H214H3(H2327)
MFCD04618870
N(4CHLORO2METHOXY5METHYLPHENYL)2((4ETHYL5(2METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4chloro2methoxy5methylphenyl)2((4ethyl5(2methoxyphenyl)4H124triazol3yl)sulfanyl)acetamide
N(4chloro2methoxy5methylphenyl)2((4ethyl5(2methoxyphenyl)4H124triazol3yl)thio)acetamide
N(4CHLORO2METHOXY5METHYLPHENYL)2(4ETHYL5(2METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002447612
ZINC02447612
ZINC2447612

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Available files

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