Vitas-M small molecule compound
methyl 3-chloro-6-[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioyl)amino]-1-benzothiophene-2-carboxylate
Catalog ID
STK458125
SMILES COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)NC1CCCc2c1cccc2
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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 C21H19ClN2O2S2 MW 430.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O2S2/c1-26-20(25)19-18(22)15-10-9-13(11-17(15)28-19)23-21(27)24-16-8-4-6-12-5-2-3-7-14(12)16/h2-3,5,7,9-11,16H,4,6,8H2,1H3,(H2,23,24,27)InChIKey
UPGCMEKTIFWGMU-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3CCCC4=CC=CC=C34)Cl
InChI=1SC21H19ClN2O2S2c12620(25)1918(22)1510913(1117(15)2819)2321(27)241684612523714(12)16h235791116H468H21H3(H2232427)
methyl3chloro6((1234tetrahydronaphthalen1ylcarbamothioyl)amino)1benzothiophene2carboxylate
methyl3chloro6(1234tetrahydronaphthalen1ylcarbamothioylamino)1benzothiophene2carboxylate
MFCD04137407
ZINC000001119071
ZINC000001119073
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