Vitas-M small molecule compound
tetramethyl 6'-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Catalog ID
STK135154
SMILES COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)/C=C/c1ccc(c(c1)OC)OC)SC(=C(S2)C(=O)OC)C(=O)OC
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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 C35H33NO11S3 MW 739.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H33NO11S3/c1-34(2)29-24(19-11-9-10-12-20(19)36(34)23(37)16-14-18-13-15-21(42-3)22(17-18)43-4)35(25(30(38)44-5)26(48-29)31(39)45-6)49-27(32(40)46-7)28(50-35)33(41)47-8/h9-17H,1-8H3/b16-14+InChIKey
BTDWMNXTMGBNDX-JQIJEIRASA-NSynonyms
(E)tetramethyl6(3(34dimethoxyphenyl)acryloyl)55dimethyl56dihydrospiro((13)dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
CC1(C2=C(C3=CC=CC=C3N1C(=O)C=CC4=CC(=C(C=C4)OC)OC)C5(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S5)C(=O)OC)C(=O)OC)C
COC(=O)C1=C(C(=O)OC)C2(C3=C(S1)C(C)(C)N(c1c3cccc1)C(=O)C=Cc1ccc(c(c1)OC)OC)SC(=C(S2)C(=O)OC)C(=O)OC
InChI=1SC35H33NO11S3c134(2)2924(19119101220(19)36(34)23(37)161418131521(423)22(1718)434)35(25(30(38)445)26(4829)31(39)456)4927(32(40)467)28(5035)33(41)478h917H18H3b1614+
MFCD01171547
tetramethyl6((2E)3(34dimethoxyphenyl)prop2enoyl)55dimethyl56dihydrospiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
tetramethyl6((E)3(34dimethoxyphenyl)prop2enoyl)55dimethylspiro(13dithiole21thiopyrano(23c)quinoline)2345tetracarboxylate
ZINC000008430520
ZINC08430520
ZINC8430520
Check stock
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Check stock on Vitas-MAvailable files
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