Vitas-M small molecule compound

tetramethyl 6'-acetyl-8'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate

Catalog ID
STK789122
SMILES CCOc1ccc2c(c1)N(C(=O)C)C(C1=C2C2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C

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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 C28H29NO10S3 MW 635.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO10S3/c1-9-39-14-10-11-15-16(12-14)29(13(2)30)27(3,4)22-17(15)28(18(23(31)35-5)19(40-22)24(32)36-6)41-20(25(33)37-7)21(42-28)26(34)38-8/h10-12H,9H2,1-8H3
InChIKey
RXHPAYACWJYQMP-UHFFFAOYSA-N
Synonyms

CCOC1=CC2=C(C=C1)C3=C(C(N2C(=O)C)(C)C)SC(=C(C34SC(=C(S4)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
CCOc1ccc2c(c1)N(C(=O)C)C(C1=C2(C@@)2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C
InChI=1SC28H29NO10S3c19391410111516(1214)29(13(2)30)27(34)2217(15)28(18(23(31)355)19(4022)24(32)366)4120(25(33)377)21(4228)26(34)388h1012H9H218H3
MFCD00616864
tetramethyl6acetyl8ethoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6acetyl8ethoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6acetyl8ethoxy55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008434925
ZINC08434925
ZINC8434925

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.