Vitas-M small molecule compound

dimethyl 2-{8-ethoxy-2,2-dimethyl-1-[(4-nitrophenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK789166
SMILES CCOc1cccc2c1N(C(=O)c1ccc(cc1)[N+](=O)[O-])C(C(=S)/C/2=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)(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 C27H24N2O8S3 MW 600.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O8S3/c1-6-37-17-9-7-8-16-18(26-39-20(24(31)35-4)21(40-26)25(32)36-5)22(38)27(2,3)28(19(16)17)23(30)14-10-12-15(13-11-14)29(33)34/h7-13H,6H2,1-5H3
InChIKey
LNKQVMDIBPCJLH-UHFFFAOYSA-N
Synonyms

CCOC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=C(C=C4)(N+)(=O)(O)
CCOc1cccc2c1N(C(=O)c1ccc(cc1)(N+)(=O)(O))C(C(=S)C2=C1SC(=C(S1)C(=O)OC)C(=O)OC)(C)C
dimethyl2(8ethoxy22dimethyl1((4nitrophenyl)carbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(8ETHOXY22DIMETHYL1(4NITROBENZOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(8ethoxy22dimethyl1(4nitrobenzoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H24N2O8S3c1637179781618(263920(24(31)354)21(4026)25(32)365)22(38)27(23)28(19(16)17)23(30)14101215(131114)29(33)34h713H6H215H3
METHYL2(8ETHOXY22DIMETHYL1((4NITROPHENYL)CARBONYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00621807
ZINC000006631345
ZINC06631345
ZINC6631345

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Available files

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