Vitas-M small molecule compound

triethyl 5',5',8',9'-tetramethyl-6'-(2-methylpropanoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-3',4,5-tricarboxylate

Catalog ID
STK048196
SMILES CCOC(=O)C1=CC2(C3=C(S1)C(C)(C)N(c1c3cc(C)c(c1)C)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)21-15-31(41-23(28(35)38-11-2)24(42-31)29(36)39-12-3)22-19-13-17(6)18(7)14-20(19)32(26(33)16(4)5)30(8,9)25(22)40-21/h13-16H,10-12H2,1-9H3
InChIKey
LWBOGEQADZZRMU-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC2(C3=C(S1)C(C)(C)N(c1c3cc(C)c(c1)C)C(=O)C(C)C)SC(=C(S2)C(=O)OCC)C(=O)OCC
CCOC(=O)C1=CC2(C3=C(S1)C(N(C4=CC(=C(C=C43)C)C)C(=O)C(C)C)(C)C)SC(=C(S2)C(=O)OCC)C(=O)OCC
InChI=1SC31H37NO7S3c1103727(34)211531(4123(28(35)38112)24(4231)29(36)39123)22191317(6)18(7)1420(19)32(26(33)16(4)5)30(89)25(22)4021h1316H1012H219H3
MFCD01560599
STK048196
triethyl5589tetramethyl6(2methylpropanoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)345tricarboxylate
triethyl5589tetramethyl6(2methylpropanoyl)spiro(13dithiole21thiopyrano(23c)quinoline)345tricarboxylate
triethyl6isobutyryl5589tetramethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)345tricarboxylate
ZINC000006545858
ZINC06545858
ZINC6545858

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.