Vitas-M small molecule compound
4-chloro-N-{[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]methyl}benzamide
Catalog ID
STK114748
SMILES N#Cc1c(NC(=O)CSc2nnc(n2C)CNC(=O)c2ccc(cc2)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 C22H21ClN6O2S2 MW 501.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN6O2S2/c1-29-18(11-25-20(31)13-6-8-14(23)9-7-13)27-28-22(29)32-12-19(30)26-21-16(10-24)15-4-2-3-5-17(15)33-21/h6-9H,2-5,11-12H2,1H3,(H,25,31)(H,26,30)InChIKey
UGCWWTXOIFWAHY-UHFFFAOYSA-NSynonyms
4chloroN((5((2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)methyl)benzamide
4chloroN((5(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl4methyl124triazol3yl)methyl)benzamide
CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CNC(=O)C4=CC=C(C=C4)Cl
InChI=1SC22H21ClN6O2S2c12918(112520(31)136814(23)9713)272822(29)321219(30)262116(1024)15423517(15)3321h69H251112H21H3(H2531)(H2630)
MFCD04128575
ZINC000002842147
ZINC02842147
ZINC2842147
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