Vitas-M small molecule compound
tetraethyl 5',5',9'-trimethyl-6'-propanoyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK695778
SMILES CCOC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)ccc2N(C1(C)C)C(=O)CC)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/c1-9-20(34)33-19-15-14-17(6)16-18(19)21-26(31(33,7)8)43-23(28(36)40-11-3)22(27(35)39-10-2)32(21)44-24(29(37)41-12-4)25(45-32)30(38)42-13-5/h14-16H,9-13H2,1-8H3InChIKey
JURQVYDPUSQYLF-UHFFFAOYSA-NSynonyms
CCC(=O)N1C2=C(C=C(C=C2)C)C3=C(C1(C)C)SC(=C(C34SC(=C(S4)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC
InChI=1SC32H37NO9S3c1920(34)3319151417(6)1618(19)2126(31(337)8)4323(28(36)40113)22(27(35)39102)32(21)4424(29(37)41124)25(4532)30(38)42135h1416H913H218H3
MFCD01156145
tetraethyl559trimethyl6propanoyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl559trimethyl6propanoylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000098002780
ZINC98002780
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