Vitas-M small molecule compound

tetramethyl 2',7',7'-trimethyl-4',5'-dioxo-4',5'-dihydro-7'H-spiro[1,3-dithiole-2,11'-pyrrolo[3,2,1-ij]thiopyrano[2,3-c]quinoline]-4,5,9',10'-tetracarboxylate

Catalog ID
STK103961
SMILES COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)cc3c2N(C1(C)C)C(=O)C3=O)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 C27H23NO10S3 MW 617.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23NO10S3/c1-10-8-11-13-20(26(2,3)28-15(11)12(9-10)16(29)21(28)30)39-17(23(32)36-5)14(22(31)35-4)27(13)40-18(24(33)37-6)19(41-27)25(34)38-7/h8-9H,1-7H3
InChIKey
DNXQLMTYVUHDOI-UHFFFAOYSA-N
Synonyms
5742-96-1
5742961
CC1=CC2=C3C(=C1)C4=C(C(N3C(=O)C2=O)(C)C)SC(=C(C45SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
InChI=1SC27H23NO10S3c1108111320(26(23)2815(11)12(910)16(29)21(28)30)3917(23(32)365)14(22(31)354)27(13)4018(24(33)376)19(4127)25(34)387h89H17H3
MFCD03297672
tetramethyl277trimethyl45dioxo45dihydro7Hspiro(13dithiole211pyrrolo(321ij)thiopyrano(23c)quinoline)45910tetracarboxylate
tetramethyl277trimethyl45dioxo57dihydro4Hspiro((13)dithiole211pyrrolo(321ij)thiopyrano(23c)quinoline)45910tetracarboxylate
ZINC000100116880
ZINC100116880

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Available files

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