Vitas-M small molecule compound

N-{1-[5-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}thiophene-2-carboxamide

Catalog ID
STK507123
SMILES N#Cc1c(NC(=O)CSc2nnc(n2C)C(NC(=O)c2cccs2)C)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 C21H22N6O2S3 MW 486.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O2S3/c1-12(23-19(29)16-8-5-9-30-16)18-25-26-21(27(18)2)31-11-17(28)24-20-14(10-22)13-6-3-4-7-15(13)32-20/h5,8-9,12H,3-4,6-7,11H2,1-2H3,(H,23,29)(H,24,28)
InChIKey
YQLHEGNFLJYBQC-UHFFFAOYSA-N
Synonyms

CC(C1=NN=C(N1C)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)NC(=O)C4=CC=CS4
InChI=1SC21H22N6O2S3c112(2319(29)168593016)18252621(27(18)2)311117(28)242014(1022)13634715(13)3220h58912H346711H212H3(H2329)(H2428)
MFCD05742025
N(1(5((2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)ethyl)thiophene2carboxamide
N(1(5(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl4methyl124triazol3yl)ethyl)thiophene2carboxamide
ZINC000008442107
ZINC000008442111

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Available files

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