Vitas-M small molecule compound

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

Catalog ID
STK508534
SMILES COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)c(cc2N(C1(C)C)C(=O)CC)C)C(=O)OC)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 C29H31NO9S3 MW 633.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO9S3/c1-10-17(31)30-16-12-14(3)13(2)11-15(16)18-23(28(30,4)5)40-20(25(33)37-7)19(24(32)36-6)29(18)41-21(26(34)38-8)22(42-29)27(35)39-9/h11-12H,10H2,1-9H3
InChIKey
HPRRSQOOSVSTOE-UHFFFAOYSA-N
Synonyms
331761-21-8
331761218
CCC(=O)N1C2=CC(=C(C=C2C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C)C
InChI=1SC29H31NO9S3c11017(31)30161214(3)13(2)1115(16)1823(28(304)5)4020(25(33)377)19(24(32)366)29(18)4121(26(34)388)22(4229)27(35)399h1112H10H219H3
MFCD01036905
tetramethyl5589tetramethyl6propanoyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl5589tetramethyl6propanoylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl5589tetramethyl6propionyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008435328
ZINC08435328
ZINC8435328

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Available files

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