Vitas-M small molecule compound
ethyl (2Z)-2-{6-ethoxy-2,2-dimethyl-1-[(3-nitrophenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-5-phenyl-1,3-dithiole-4-carboxylate
Catalog ID
STK070765
SMILES CCOC(=O)C1=C(S/C(=C/2\c3cc(OCC)ccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)[N+](=O)[O-])/S1)c1ccccc1
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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 C32H28N2O6S3 MW 632.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28N2O6S3/c1-5-39-22-15-16-24-23(18-22)25(31-42-26(19-11-8-7-9-12-19)27(43-31)30(36)40-6-2)28(41)32(3,4)33(24)29(35)20-13-10-14-21(17-20)34(37)38/h7-18H,5-6H2,1-4H3/b31-25-InChIKey
YKNBJSWTTPSXML-GDWJVWIDSA-NSynonyms
(Z)ethyl2(6ethoxy22dimethyl1(3nitrobenzoyl)3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
CCOC(=O)C1=C(SC(=C2c3cc(OCC)ccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)(N+)(=O)(O))S1)c1ccccc1
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)(C)C)C(=O)C5=CC(=CC=C5)(N+)(=O)(O)
ETHYL(2Z)2(6ETHOXY22DIMETHYL1((3NITROPHENYL)CARBONYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ethyl(2Z)2(6ethoxy22dimethyl1(3nitrobenzoyl)3sulfanylidenequinolin4ylidene)5phenyl13dithiole4carboxylate
ETHYL2(6ETHOXY22DIMETHYL1((3NITROPHENYL)CARBONYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5PHENYL13DITHIOLENE4CARBOXYLATE
InChI=1SC32H28N2O6S3c15392215162423(1822)25(314226(19118791219)27(4331)30(36)4062)28(41)32(34)33(24)29(35)2013101421(1720)34(37)38h718H56H214H3b3125
MFCD01171525
STK070765
ZINC000150425258
ZINC150425258
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