Vitas-M small molecule compound
ethyl (2Z)-5-phenyl-2-[2,2,7-trimethyl-1-(naphthalen-1-ylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4-carboxylate
Catalog ID
STK789319
SMILES CCOC(=O)C1=C(S/C(=C/2\c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2cccc3c2cccc3)C)/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 C35H29NO3S3 MW 607.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29NO3S3/c1-5-39-33(38)30-29(23-13-7-6-8-14-23)41-34(42-30)28-26-19-18-21(2)20-27(26)36(35(3,4)31(28)40)32(37)25-17-11-15-22-12-9-10-16-24(22)25/h6-20H,5H2,1-4H3/b34-28-InChIKey
PHNPZBGODAUYHQ-BFYITVNDSA-NSynonyms
330180-11-5(Z)ethyl2(1(1naphthoyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
330180115
CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC=CC5=CC=CC=C54)S1)C6=CC=CC=C6
CCOC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)c2cccc3c2cccc3)C)S1)c1ccccc1
ethyl(2Z)5phenyl2(227trimethyl1(naphthalen1ylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole4carboxylate
ETHYL(2Z)5PHENYL2(227TRIMETHYL1(NAPHTHALENE1CARBONYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE4CARBOXYLATE
InChI=1SC35H29NO3S3c153933(38)3029(23137681423)4134(4230)2826191821(2)2027(26)36(35(34)31(28)40)32(37)2517111522129101624(22)25h620H5H214H3b3428
MFCD01068085
ZINC000097944146
ZINC97944146
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