Vitas-M small molecule compound
dimethyl 2-{6-methoxy-2,2-dimethyl-1-[(3-nitrophenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK320620
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(OC)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 C26H22N2O8S3 MW 586.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O8S3/c1-26(2)21(37)18(25-38-19(23(30)35-4)20(39-25)24(31)36-5)16-12-15(34-3)9-10-17(16)27(26)22(29)13-7-6-8-14(11-13)28(32)33/h6-12H,1-5H3InChIKey
BWMRILIDTABPFS-UHFFFAOYSA-NSynonyms
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC(=CC=C4)(N+)(=O)(O))C=CC(=C3)OC)C
COC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)(N+)(=O)(O))S1)C(=O)OC
DIMETHYL2(6METHOXY22DIMETHYL1((3NITROPHENYL)CARBONYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6METHOXY22DIMETHYL1(3NITROBENZOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6methoxy22dimethyl1(3nitrobenzoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H22N2O8S3c126(2)21(37)18(253819(23(30)354)20(3925)24(31)365)161215(343)91017(16)27(26)22(29)1376814(1113)28(32)33h612H15H3
METHYL2(6METHOXY22DIMETHYL1((3NITROPHENYL)CARBONYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01952015
ZINC000100095945
ZINC100095945
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