Vitas-M small molecule compound
ethyl (2Z)-2-(2,2-dimethyl-3-thioxo-6-trityl-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Catalog ID
STK037027
SMILES CCOC(=O)C1=C(S/C(=C/2\c3cc(ccc3NC(C2=S)(C)C)C(c2ccccc2)(c2ccccc2)c2ccccc2)/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 C42H35NO2S3 MW 681.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H35NO2S3/c1-4-45-39(44)37-36(28-17-9-5-10-18-28)47-40(48-37)35-33-27-32(25-26-34(33)43-41(2,3)38(35)46)42(29-19-11-6-12-20-29,30-21-13-7-14-22-30)31-23-15-8-16-24-31/h5-27,43H,4H2,1-3H3/b40-35-InChIKey
JTFOINSMLNLRRV-IHFXRMRWSA-NSynonyms
331840-90-5(Z)ethyl2(22dimethyl3thioxo6trityl23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
331840905
CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NC(C2=S)(C)C)S1)C7=CC=CC=C7
CCOC(=O)C1=C(SC(=C2c3cc(ccc3NC(C2=S)(C)C)C(c2ccccc2)(c2ccccc2)c2ccccc2)S1)c1ccccc1
ETHYL(2Z)2(22DIMETHYL3SULFANYLIDENE6TRITYL1HQUINOLIN4YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ETHYL(2Z)2(22DIMETHYL3THIOXO6TRITYL23DIHYDROQUINOLIN4(1H)YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ETHYL2(22DIMETHYL3THIOXO6TRITYL23DIHYDRO4(1H)QUINOLINYLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
InChI=1SC42H35NO2S3c144539(44)3736(281795101828)4740(4837)35332732(252634(33)4341(23)38(35)46)42(29191161220293021137142230)3123158162431h52743H4H213H3b4035
MFCD01051548
STK037027
ZINC000008456479
ZINC08456479
ZINC8456479
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