Vitas-M small molecule compound
tetraethyl 6'-acetyl-5',5',9'-trimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK789027
SMILES CCOC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)ccc2N(C1(C)C)C(=O)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 C31H35NO9S3 MW 661.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO9S3/c1-9-38-26(34)21-22(27(35)39-10-2)42-25-20(18-15-16(5)13-14-19(18)32(17(6)33)30(25,7)8)31(21)43-23(28(36)40-11-3)24(44-31)29(37)41-12-4/h13-15H,9-12H2,1-8H3InChIKey
ZMLQSBQMBOMDLW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)C4=C(C=CC(=C4)C)N(C2(C)C)C(=O)C)C(=O)OCC
InChI=1SC31H35NO9S3c193826(34)2122(27(35)39102)422520(181516(5)131419(18)32(17(6)33)30(257)8)31(21)4323(28(36)40113)24(4431)29(37)41124h1315H912H218H3
MFCD00486107
tetraethyl6acetyl559trimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl6acetyl559trimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl6acetyl559trimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000097994474
ZINC97994474
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