Vitas-M small molecule compound

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

Catalog ID
STK138562
SMILES N#Cc1c(NC(=O)CSc2nnc(n2C)CCCOc2ccc(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 C23H23Cl2N5O2S2 MW 536.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23Cl2N5O2S2/c1-30-20(7-4-10-32-18-9-8-14(24)11-17(18)25)28-29-23(30)33-13-21(31)27-22-16(12-26)15-5-2-3-6-19(15)34-22/h8-9,11H,2-7,10,13H2,1H3,(H,27,31)
InChIKey
UOAGYSKUUMMJSQ-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CCCOC4=C(C=C(C=C4)Cl)Cl
InChI=1SC23H23Cl2N5O2S2c13020(741032189814(24)1117(18)25)282923(30)331321(31)272216(1226)15523619(15)3422h8911H271013H21H3(H2731)
MFCD04403959
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(3(24dichlorophenoxy)propyl)4methyl124triazol3yl)sulfanyl)acetamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(3(24dichlorophenoxy)propyl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000002861757
ZINC2861757

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Available files

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