Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(2-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL445316
SMILES CCOc1ccccc1c1nnc([nH]1)SCC(=O)Nc1sc2c(c1C#N)CCCC2
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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 C21H21N5O2S2 MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S2/c1-2-28-16-9-5-3-8-14(16)19-24-21(26-25-19)29-12-18(27)23-20-15(11-22)13-7-4-6-10-17(13)30-20/h3,5,8-9H,2,4,6-7,10,12H2,1H3,(H,23,27)(H,24,25,26)InChIKey
NXRLNQFBUHWNBC-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N
CCOc1ccccc1c1nnc((nH)1)SCC(=O)Nc1sc2c(c1C#N)CCCC2
InChI=1SC21H21N5O2S2c122816953814(16)192421(262519)291218(27)232015(1122)137461017(13)3020h3589H24671012H21H3(H2327)(H242526)
MFCD05841768
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(2ethoxyphenyl)1H124triazol3yl)sulfanyl)acetamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(2ethoxyphenyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000006573741
ZINC06573741
ZINC6573741
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