Vitas-M small molecule compound
2-[5-({2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-N-phenylacetamide
Catalog ID
STK139633
SMILES N#Cc1c(NC(=O)CSc2nnc(n2CC)CC(=O)Nc2ccccc2)sc2c1CCC(C2)C(C)(C)C
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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 C27H32N6O2S2 MW 536.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N6O2S2/c1-5-33-22(14-23(34)29-18-9-7-6-8-10-18)31-32-26(33)36-16-24(35)30-25-20(15-28)19-12-11-17(27(2,3)4)13-21(19)37-25/h6-10,17H,5,11-14,16H2,1-4H3,(H,29,34)(H,30,35)InChIKey
PBMGWGQUYRRUFF-UHFFFAOYSA-NSynonyms
2(5((2((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)4ethyl4H124triazol3yl)Nphenylacetamide
2(5(2((6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl4ethyl124triazol3yl)Nphenylacetamide
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)CC(=O)NC4=CC=CC=C4
InChI=1SC27H32N6O2S2c153322(1423(34)291897681018)313226(33)361624(35)302520(1528)19121117(27(23)4)1321(19)3725h61017H5111416H214H3(H2934)(H3035)
MFCD04394034
ZINC000002859375
ZINC000002859376
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