Vitas-M small molecule compound
dimethyl 2-{2,2,7-trimethyl-1-[(2E)-3-(4-nitrophenyl)prop-2-enoyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK695785
SMILES COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2ccc(c3)C)C(=O)/C=C/c2ccc(cc2)[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 C28H24N2O7S3 MW 596.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O7S3/c1-15-6-12-18-19(14-15)29(20(31)13-9-16-7-10-17(11-8-16)30(34)35)28(2,3)24(38)21(18)27-39-22(25(32)36-4)23(40-27)26(33)37-5/h6-14H,1-5H3/b13-9+InChIKey
TZRPSPRJKXQIQY-UKTHLTGXSA-NSynonyms
CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C=CC4=CC=C(C=C4)(N+)(=O)(O))(C)C
COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(c3c2ccc(c3)C)C(=O)C=Cc2ccc(cc2)(N+)(=O)(O))S1)C(=O)OC
dimethyl2(227trimethyl1((2E)3(4nitrophenyl)prop2enoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(227TRIMETHYL1((E)3(4NITROPHENYL)PROP2ENOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC28H24N2O7S3c1156121819(1415)29(20(31)1391671017(11816)30(34)35)28(23)24(38)21(18)273922(25(32)364)23(4027)26(33)375h614H15H3b139+
MFCD01560062
ZINC000100088814
ZINC100088814
Check stock
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Check stock on Vitas-MAvailable files
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