Vitas-M small molecule compound
ethyl (2Z)-2-(1-acetyl-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Catalog ID
STK789268
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)c1ccccc1)C(=O)OCC)/C(=S)C(N2C(=O)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 C27H27NO4S3 MW 525.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO4S3/c1-6-31-18-13-14-20-19(15-18)21(24(33)27(4,5)28(20)16(3)29)26-34-22(17-11-9-8-10-12-17)23(35-26)25(30)32-7-2/h8-15H,6-7H2,1-5H3/b26-21-InChIKey
HXMGBUVVXNNRRR-QLYXXIJNSA-NSynonyms
370076-45-2(Z)ethyl2(1acetyl6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
370076452
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)(C)C)C(=O)C
CCOc1ccc2c(c1)C(=C1SC(=C(S1)c1ccccc1)C(=O)OCC)C(=S)C(N2C(=O)C)(C)C
ETHYL(2Z)2(1ACETYL6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ethyl(2Z)2(1acetyl6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
InChI=1SC27H27NO4S3c16311813142019(1518)21(24(33)27(45)28(20)16(3)29)263422(171198101217)23(3526)25(30)3272h815H67H215H3b2621
MFCD00980852
ZINC000013739308
ZINC13739308
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