Vitas-M small molecule compound
tetraethyl 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
STK789181
SMILES CCOc1ccc2c(c1)NC(C1=C2C2(SC(=C(S2)C(=O)OCC)C(=O)OCC)C(=C(S1)C(=O)OCC)C(=O)OCC)(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 C30H35NO9S3 MW 649.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO9S3/c1-8-36-16-13-14-17-18(15-16)31-29(6,7)24-19(17)30(20(25(32)37-9-2)21(41-24)26(33)38-10-3)42-22(27(34)39-11-4)23(43-30)28(35)40-12-5/h13-15,31H,8-12H2,1-7H3InChIKey
MLDRNVBSRMJQIB-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)C3=C(C(N2)(C)C)SC(=C(C34SC(=C(S4)C(=O)OCC)C(=O)OCC)C(=O)OCC)C(=O)OCC
InChI=1SC30H35NO9S3c18361613141718(1516)3129(67)2419(17)30(20(25(32)3792)21(4124)26(33)38103)4222(27(34)39114)23(4330)28(35)40125h131531H812H217H3
MFCD00689666
tetraethyl8ethoxy55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl8ethoxy55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetraethyl8ethoxy55dimethylspiro(13dithiole216Hthiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000098006773
ZINC98006773
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