Vitas-M small molecule compound
dimethyl 2-{1-[(2E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK138191
SMILES COc1ccc(cc1)/C=C/C(=O)N1c2ccc(cc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)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 C29H27NO6S3 MW 581.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27NO6S3/c1-16-7-13-20-19(15-16)22(28-38-23(26(32)35-5)24(39-28)27(33)36-6)25(37)29(2,3)30(20)21(31)14-10-17-8-11-18(34-4)12-9-17/h7-15H,1-6H3/b14-10+InChIKey
KZIZEQWVCLXCKU-GXDHUFHOSA-NSynonyms
(E)dimethyl2(1(3(4methoxyphenyl)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
COc1ccc(cc1)C=CC(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C)C
DIMETHYL2(1((2E)3(4METHOXYPHENYL)PROP2ENOYL)226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((E)3(4METHOXYPHENYL)PROP2ENOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC29H27NO6S3c1167132019(1516)22(283823(26(32)355)24(3928)27(33)366)25(37)29(23)30(20)21(31)14101781118(344)12917h715H16H3b1410+
METHYL2(1((2E)3(4METHOXYPHENYL)PROP2ENOYL)226TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00981173
ZINC000100468224
ZINC100468224
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