Vitas-M small molecule compound

3,4-dichloro-N-{2-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide

Catalog ID
STK151591
SMILES COc1cccc(c1)NC(=O)CSc1nnc(n1C)CCNC(=O)c1ccc(c(c1)Cl)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 C21H21Cl2N5O3S MW 494.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N5O3S/c1-28-18(8-9-24-20(30)13-6-7-16(22)17(23)10-13)26-27-21(28)32-12-19(29)25-14-4-3-5-15(11-14)31-2/h3-7,10-11H,8-9,12H2,1-2H3,(H,24,30)(H,25,29)
InChIKey
STUBEUMUYQYQDJ-UHFFFAOYSA-N
Synonyms

34DICHLORON(2(5((2((3METHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)BENZAMIDE
34DICHLORON(2(5(2(3METHOXYANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC21H21Cl2N5O3Sc12818(892420(30)136716(22)17(23)1013)262721(28)321219(29)251443515(1114)312h371011H8912H212H3(H2430)(H2529)
MFCD05998924
ZINC000002867048
ZINC02867048
ZINC2867048

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Available files

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