Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-ethyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STK251355
SMILES CCc1nnc(n1c1ccccc1)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 C21H21N5OS2 MW 423.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5OS2/c1-2-18-24-25-21(26(18)14-8-4-3-5-9-14)28-13-19(27)23-20-16(12-22)15-10-6-7-11-17(15)29-20/h3-5,8-9H,2,6-7,10-11,13H2,1H3,(H,23,27)InChIKey
JQLQXHWLPCHFAR-UHFFFAOYSA-NSynonyms
CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N
InChI=1SC21H21N5OS2c1218242521(26(18)148435914)281319(27)232016(1222)1510671117(15)2920h3589H267101113H21H3(H2327)
MFCD08580963
N(3cyano4567tetrahydro1benzothiophen2yl)2((5ethyl4phenyl124triazol3yl)sulfanyl)acetamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((5ethyl4phenyl4H124triazol3yl)sulfanyl)acetamide
ZINC000009668993
ZINC09668993
ZINC9668993
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