Vitas-M small molecule compound
dimethyl 2-{1-[(4-chloro-3-nitrophenyl)carbonyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK022384
SMILES CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)(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 C27H23ClN2O8S3 MW 635.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O8S3/c1-6-38-14-8-10-17-15(12-14)19(26-40-20(24(32)36-4)21(41-26)25(33)37-5)22(39)27(2,3)29(17)23(31)13-7-9-16(28)18(11-13)30(34)35/h7-12H,6H2,1-5H3InChIKey
OVDCZWXGSSHOHD-UHFFFAOYSA-NSynonyms
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)c1ccc(c(c1)(N+)(=O)(O))Cl)(C)C
DIMETHYL2(1((4CHLORO3NITROPHENYL)CARBONYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(4CHLORO3NITROBENZOYL)6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(4CHLORO3NITROBENZOYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(4chloro3nitrobenzoyl)6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H23ClN2O8S3c1638148101715(1214)19(264020(24(32)364)21(4126)25(33)375)22(39)27(23)29(17)23(31)137916(28)18(1113)30(34)35h712H6H215H3
METHYL2(1((4CHLORO3NITROPHENYL)CARBONYL)6ETHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01156249
STK022384
ZINC000008425735
ZINC08425735
ZINC8425735
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