Vitas-M small molecule compound
ethyl 2-[(1-benzoxepin-4-ylcarbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
Catalog ID
STL018109
SMILES CCOC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)C1=Cc2ccccc2OC=C1
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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 C25H21NO4S MW 431.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO4S/c1-3-29-25(28)22-20(17-10-8-16(2)9-11-17)15-31-24(22)26-23(27)19-12-13-30-21-7-5-4-6-18(21)14-19/h4-15H,3H2,1-2H3,(H,26,27)InChIKey
RRYGRAQOIFOQOH-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=CC4=CC=CC=C4OC=C3
ethyl2((1benzoxepin4ylcarbonyl)amino)4(4methylphenyl)thiophene3carboxylate
ethyl2(1benzoxepine4carbonylamino)4(4methylphenyl)thiophene3carboxylate
ETHYL2(BENZO(B)OXEPIN4YLCARBONYLAMINO)4(4METHYLPHENYL)THIOPHENE3CARBOXYLATE
InChI=1SC25H21NO4Sc132925(28)2220(1710816(2)91117)153124(22)2623(27)1912133021754618(21)1419h415H3H212H3(H2627)
MFCD10082115
ZINC000012274543
ZINC12274543
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