Vitas-M small molecule compound
methyl 2-{[(3,4-diethoxyphenyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK730605
SMILES CCOc1ccc(cc1OCC)CC(=O)Nc1sc2c(c1C(=O)OC)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 C22H27NO5S MW 417.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5S/c1-4-27-16-11-10-14(12-17(16)28-5-2)13-19(24)23-21-20(22(25)26-3)15-8-6-7-9-18(15)29-21/h10-12H,4-9,13H2,1-3H3,(H,23,24)InChIKey
DXSCMTXHKCOPDZ-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OCC
InChI=1SC22H27NO5Sc142716111014(1217(16)2852)1319(24)232120(22(25)263)15867918(15)2921h1012H4913H213H3(H2324)
methyl2(((34diethoxyphenyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2(34diethoxyphenyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03195458
ZINC000000718892
ZINC00718892
ZINC718892
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