Vitas-M small molecule compound
dimethyl 2-{1-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK031400
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)/C=C/c2ccc(c(c2)OC)OC)/S1)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 C30H29NO7S3 MW 611.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO7S3/c1-16-8-11-19-18(14-16)23(29-40-24(27(33)37-6)25(41-29)28(34)38-7)26(39)30(2,3)31(19)22(32)13-10-17-9-12-20(35-4)21(15-17)36-5/h8-15H,1-7H3/b13-10+InChIKey
QOWUOCGWNSZRBJ-JLHYYAGUSA-NSynonyms
(E)dimethyl2(1(3(34dimethoxyphenyl)acryloyl)226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C=CC4=CC(=C(C=C4)OC)OC
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C=Cc2ccc(c(c2)OC)OC)S1)C(=O)OC
DIMETHYL2(1((2E)3(34DIMETHOXYPHENYL)PROP2ENOYL)226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((E)3(34DIMETHOXYPHENYL)PROP2ENOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC30H29NO7S3c1168111918(1416)23(294024(27(33)376)25(4129)28(34)387)26(39)30(23)31(19)22(32)13101791220(354)21(1517)365h815H17H3b1310+
METHYL2(1((2E)3(34DIMETHOXYPHENYL)PROP2ENOYL)226TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01137938
STK031400
ZINC000097958167
ZINC97958167
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