Vitas-M small molecule compound

2,4-dichloro-N-{1-[5-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide

Catalog ID
STK139889
SMILES N#Cc1c(NC(=O)CSc2nnc([nH]2)C(C(C)C)NC(=O)c2ccc(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 C24H24Cl2N6O2S2 MW 563.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24Cl2N6O2S2/c1-12(2)20(29-22(34)15-8-7-13(25)9-17(15)26)21-30-24(32-31-21)35-11-19(33)28-23-16(10-27)14-5-3-4-6-18(14)36-23/h7-9,12,20H,3-6,11H2,1-2H3,(H,28,33)(H,29,34)(H,30,31,32)
InChIKey
VZNXALKIAYXEHD-UHFFFAOYSA-N
Synonyms

24dichloroN(1(3(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl1H124triazol5yl)2methylpropyl)benzamide
24dichloroN(1(5((2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)4H124triazol3yl)2methylpropyl)benzamide
CC(C)C(C1=NC(=NN1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)NC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI=1SC24H24Cl2N6O2S2c112(2)20(2922(34)158713(25)917(15)26)213024(323121)351119(33)282316(1027)14534618(14)3623h791220H3611H212H3(H2833)(H2934)(H303132)
MFCD08671345
N#Cc1c(NC(=O)CSc2nnc((nH)2)C(C(C)C)NC(=O)c2ccc(cc2Cl)Cl)sc2c1CCCC2
ZINC000098045484
ZINC000098045485

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Available files

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