Vitas-M small molecule compound
tetraethyl 5',5'-dimethyl-6'-(2-methylpropanoyl)-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK695776
SMILES CCOC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2ccccc2N(C1(C)C)C(=O)C(C)C)C(=O)OCC)C(=O)OCC)C(=O)OCC
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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 C32H37NO9S3 MW 675.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO9S3/c1-9-39-27(35)21-22(28(36)40-10-2)43-25-20(18-15-13-14-16-19(18)33(31(25,7)8)26(34)17(5)6)32(21)44-23(29(37)41-11-3)24(45-32)30(38)42-12-4/h13-17H,9-12H2,1-8H3InChIKey
MRYJQYPESRZHPZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=CC=CC=C4N(C2(C)C)C(=O)C(C)C)C(=O)OCC
InChI=1SC32H37NO9S3c193927(35)2122(28(36)40102)432520(181513141619(18)33(31(257)8)26(34)17(5)6)32(21)4423(29(37)41113)24(4532)30(38)42124h1317H912H218H3
MFCD01156138
tetraethyl55dimethyl6(2methylpropanoyl)56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl55dimethyl6(2methylpropanoyl)spiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl6isobutyryl55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000098048858
ZINC98048858
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