Vitas-M small molecule compound

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-{[(2,4-dichlorophenyl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

Catalog ID
STL481007
SMILES N#Cc1c(NC(=O)CSc2nnc(n2C)CSc2ccc(cc2Cl)Cl)sc2c1CCCC2

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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 C21H19Cl2N5OS3 MW 524.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N5OS3/c1-28-18(10-30-17-7-6-12(22)8-15(17)23)26-27-21(28)31-11-19(29)25-20-14(9-24)13-4-2-3-5-16(13)32-20/h6-8H,2-5,10-11H2,1H3,(H,25,29)
InChIKey
JEUCWRHEVPYTFQ-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CSC4=C(C=C(C=C4)Cl)Cl
InChI=1SC21H19Cl2N5OS3c12818(1030177612(22)815(17)23)262721(28)311119(29)252014(924)13423516(13)3220h68H251011H21H3(H2529)
MFCD07437651
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(((24dichlorophenyl)sulfanyl)methyl)4methyl4H124triazol3yl)sulfanyl)acetamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((5((24dichlorophenyl)sulfanylmethyl)4methyl124triazol3yl)sulfanyl)acetamide
ZINC000100413663
ZINC100413663

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Available files

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