Vitas-M small molecule compound
dimethyl 2-{1-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK061960
SMILES COc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)/C=C/c1ccc(c(c1)OC)OC)(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 C30H29NO8S3 MW 627.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO8S3/c1-30(2)26(40)23(29-41-24(27(33)38-6)25(42-29)28(34)39-7)18-15-17(35-3)10-11-19(18)31(30)22(32)13-9-16-8-12-20(36-4)21(14-16)37-5/h8-15H,1-7H3/b13-9+InChIKey
MNVVWZYRFSYTHD-UKTHLTGXSA-NSynonyms
(E)dimethyl2(1(3(34dimethoxyphenyl)acryloyl)6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C=CC4=CC(=C(C=C4)OC)OC)C=CC(=C3)OC)C
COc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C=Cc1ccc(c(c1)OC)OC)(C)C
DIMETHYL2(1((2E)3(34DIMETHOXYPHENYL)PROP2ENOYL)6METHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((E)3(34DIMETHOXYPHENYL)PROP2ENOYL)6METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(3(34DIMETHOXYPHENYL)ACRYLOYL)6METHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC30H29NO8S3c130(2)26(40)23(294124(27(33)386)25(4229)28(34)397)181517(353)101119(18)31(30)22(32)1391681220(364)21(1416)375h815H17H3b139+
METHYL2(1((2E)3(34DIMETHOXYPHENYL)PROP2ENOYL)6METHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01137941
STK061960
ZINC000008425575
ZINC08425575
ZINC8425575
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