Vitas-M small molecule compound
triethyl 5',5',7',9'-tetramethyl-6'-(2-methylpropanoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4,5-tricarboxylate
Catalog ID
STK789137
SMILES CCOC(=O)C1=CC2(C3=C(S1)C(C)(C)N(c1c3cc(C)cc1C)C(=O)C(C)C)SC(=C(S2)C(=O)OCC)C(=O)OCC
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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 C31H37NO7S3 MW 631.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO7S3/c1-10-37-27(34)20-15-31(41-23(28(35)38-11-2)24(42-31)29(36)39-12-3)21-19-14-17(6)13-18(7)22(19)32(26(33)16(4)5)30(8,9)25(21)40-20/h13-16H,10-12H2,1-9H3InChIKey
LOYYHIKMOPJZLA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC2(C3=C(S1)C(N(C4=C(C=C(C=C34)C)C)C(=O)C(C)C)(C)C)SC(=C(S2)C(=O)OCC)C(=O)OCC
InChI=1SC31H37NO7S3c1103727(34)201531(4123(28(35)38112)24(4231)29(36)39123)21191417(6)1318(7)22(19)32(26(33)16(4)5)30(89)25(21)4020h1316H1012H219H3
MFCD03490191
triethyl5579tetramethyl6(2methylpropanoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)345tricarboxylate
triethyl5579tetramethyl6(2methylpropanoyl)spiro(13dithiole21thiopyrano(23c)quinoline)345tricarboxylate
triethyl6isobutyryl5579tetramethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)345tricarboxylate
ZINC000102786425
ZINC102786425
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