Vitas-M small molecule compound
dimethyl 2-{2,2,6-trimethyl-1-[(3-nitrophenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STL361129
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)[N+](=O)[O-])/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 C26H22N2O7S3 MW 570.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O7S3/c1-13-9-10-17-16(11-13)18(25-37-19(23(30)34-4)20(38-25)24(31)35-5)21(36)26(2,3)27(17)22(29)14-7-6-8-15(12-14)28(32)33/h6-12H,1-5H3InChIKey
ARJYBAWKYFEALY-UHFFFAOYSA-NSynonyms
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC(=CC=C4)(N+)(=O)(O)
COC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)(N+)(=O)(O))S1)C(=O)OC
dimethyl2(226trimethyl1((3nitrophenyl)carbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(226TRIMETHYL1(3NITROBENZOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(226TRIMETHYL1(3NITROBENZOYL)3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(226trimethyl1(3nitrobenzoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H22N2O7S3c1139101716(1113)18(253719(23(30)344)20(3825)24(31)355)21(36)26(23)27(17)22(29)1476815(1214)28(32)33h612H15H3
METHYL5(METHOXYCARBONYL)2(226TRIMETHYL1((3NITROPHENYL)CARBONYL)3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
MFCD00627079
ZINC000097990159
ZINC97990159
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