Vitas-M small molecule compound
tetramethyl 2'-ethoxy-7',7'-dimethyl-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
STK105333
SMILES CCOc1cc2C(=O)C(=O)N3c2c(c1)C1=C(C3(C)C)SC(=C(C21SC(=C(S2)C(=O)OC)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 C28H25NO11S3 MW 647.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO11S3/c1-8-40-11-9-12-14-21(27(2,3)29-16(12)13(10-11)17(30)22(29)31)41-18(24(33)37-5)15(23(32)36-4)28(14)42-19(25(34)38-6)20(43-28)26(35)39-7/h9-10H,8H2,1-7H3InChIKey
WAZARXFGZCEQBI-UHFFFAOYSA-NSynonyms
CCOC1=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=1SC28H25NO11S3c1840119121421(27(23)2916(12)13(1011)17(30)22(29)31)4118(24(33)375)15(23(32)364)28(14)4219(25(34)386)20(4328)26(35)397h910H8H217H3
MFCD03287477
tetramethyl2ethoxy77dimethyl45dioxo45dihydro7Hspiro(13dithiole211pyrrolo(321ij)thiopyrano(23c)quinoline)45910tetracarboxylate
tetramethyl2ethoxy77dimethyl45dioxo57dihydro4Hspiro((13)dithiole211pyrrolo(321ij)thiopyrano(23c)quinoline)45910tetracarboxylate
ZINC000150444693
ZINC150444693
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