Vitas-M small molecule compound
4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl]-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
Catalog ID
STK677536
SMILES CCOc1cc(cc(c1OC(=O)c1cccs1)[N+](=O)[O-])C1C(=C(N)OC2=C1C(=O)CC(C2)c1ccco1)C#N
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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 C27H21N3O8S MW 547.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O8S/c1-2-35-21-12-15(9-17(30(33)34)25(21)38-27(32)22-6-4-8-39-22)23-16(13-28)26(29)37-20-11-14(10-18(31)24(20)23)19-5-3-7-36-19/h3-9,12,14,23H,2,10-11,29H2,1H3InChIKey
OCHPLZVCEYWRFT-UHFFFAOYSA-NSynonyms
(4(2amino3cyano7(furan2yl)5oxo4678tetrahydrochromen4yl)2ethoxy6nitrophenyl)thiophene2carboxylate
4(2amino3cyano7(furan2yl)5oxo5678tetrahydro4Hchromen4yl)2ethoxy6nitrophenylthiophene2carboxylate
CCOC1=CC(=CC(=C1OC(=O)C2=CC=CS2)(N+)(=O)(O))C3C(=C(OC4=C3C(=O)CC(C4)C5=CC=CO5)N)C#N
CCOc1cc(cc(c1OC(=O)c1cccs1)(N+)(=O)(O))C1C(=C(N)OC2=C1C(=O)CC(C2)c1ccco1)C#N
InChI=1SC27H21N3O8Sc1235211215(917(30(33)34)25(21)3827(32)226483922)2316(1328)26(29)37201114(1018(31)24(20)23)195373619h39121423H2101129H21H3
MFCD03035562
ZINC000003672539
ZINC000003672542
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