Vitas-M small molecule compound
dimethyl 2-{6-methoxy-2,2-dimethyl-1-[(3-methylphenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789048
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)C)/S1)C(=O)OC
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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 C27H25NO6S3 MW 555.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO6S3/c1-14-8-7-9-15(12-14)23(29)28-18-11-10-16(32-4)13-17(18)19(22(35)27(28,2)3)26-36-20(24(30)33-5)21(37-26)25(31)34-6/h7-13H,1-6H3InChIKey
UGGXOCAVFAUGGM-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C(=O)N2C3=C(C=C(C=C3)OC)C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C
COC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)C)S1)C(=O)OC
dimethyl2(6methoxy22dimethyl1((3methylphenyl)carbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(6METHOXY22DIMETHYL1(3METHYLBENZOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6METHOXY22DIMETHYL1(3METHYLBENZOYL)3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6methoxy22dimethyl1(3methylbenzoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H25NO6S3c11487915(1214)23(29)2818111016(324)1317(18)19(22(35)27(282)3)263620(24(30)335)21(3726)25(31)346h713H16H3
METHYL2(6METHOXY22DIMETHYL1((3METHYLPHENYL)CARBONYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00643476
ZINC000008435538
ZINC08435538
ZINC8435538
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