Vitas-M small molecule compound

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

Catalog ID
STK337456
SMILES 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 C14H15Cl2N5O2S MW 388.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15Cl2N5O2S/c1-21-12(19-20-14(21)24-7-11(17)22)4-5-18-13(23)8-2-3-9(15)10(16)6-8/h2-3,6H,4-5,7H2,1H3,(H2,17,22)(H,18,23)
InChIKey
JSFGICZCKCVKNK-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)N)CCNC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI=1SC14H15Cl2N5O2Sc12112(192014(21)24711(17)22)451813(23)8239(15)10(16)68h236H457H21H3(H21722)(H1823)
MFCD09876725
N(2(5((2amino2oxoethyl)sulfanyl)4methyl4H124triazol3yl)ethyl)34dichlorobenzamide
N(2(5(2amino2oxoethyl)sulfanyl4methyl124triazol3yl)ethyl)34dichlorobenzamide
ZINC000008884170
ZINC08884170
ZINC8884170

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Available files

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