Vitas-M small molecule compound

tetramethyl 8'-methoxy-5',5'-dimethyl-6'-[(4-methylphenyl)carbonyl]-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK789162
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3ccc(c1)OC)C(=O)c1ccc(cc1)C)SC(=C(S2)C(=O)OC)C(=O)OC

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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 C33H31NO10S3 MW 697.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31NO10S3/c1-16-9-11-17(12-10-16)27(35)34-20-15-18(40-4)13-14-19(20)21-26(32(34,2)3)45-23(29(37)42-6)22(28(36)41-5)33(21)46-24(30(38)43-7)25(47-33)31(39)44-8/h9-15H,1-8H3
InChIKey
BNRRPAMKSXOWCS-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C(=O)N2C3=C(C=CC(=C3)OC)C4=C(C2(C)C)SC(=C(C45SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC33H31NO10S3c11691117(121016)27(35)34201518(404)131419(20)2126(32(342)3)4523(29(37)426)22(28(36)415)33(21)4624(30(38)437)25(4733)31(39)448h915H18H3
MFCD00621796
tetramethyl8methoxy55dimethyl6((4methylphenyl)carbonyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl8methoxy55dimethyl6(4methylbenzoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl8methoxy55dimethyl6(4methylbenzoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097996162
ZINC97996162

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Available files

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