Vitas-M small molecule compound

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

Catalog ID
STK130210
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cc(C)c(c1)C)C(=O)CC(C)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 C31H35NO9S3 MW 661.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO9S3/c1-14(2)11-19(33)32-18-13-16(4)15(3)12-17(18)20-25(30(32,5)6)42-22(27(35)39-8)21(26(34)38-7)31(20)43-23(28(36)40-9)24(44-31)29(37)41-10/h12-14H,11H2,1-10H3
InChIKey
CSYOCUMOXLHMBZ-UHFFFAOYSA-N
Synonyms

CC1=C(C=C2C(=C1)C3=C(C(N2C(=O)CC(C)C)(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C
InChI=1SC31H35NO9S3c114(2)1119(33)32181316(4)15(3)1217(18)2025(30(325)6)4222(27(35)398)21(26(34)387)31(20)4323(28(36)409)24(4431)29(37)4110h1214H11H2110H3
MFCD03490267
tetramethyl5589tetramethyl6(3methylbutanoyl)56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl5589tetramethyl6(3methylbutanoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl5589tetramethyl6(3methylbutanoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000150393071
ZINC150393071

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Available files

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