Vitas-M small molecule compound
dimethyl 2-{1-[(4-methoxyphenyl)acetyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK092585
SMILES COc1ccc(cc1)CC(=O)N1c2ccccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(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 C27H25NO6S3 MW 555.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO6S3/c1-27(2)23(35)20(26-36-21(24(30)33-4)22(37-26)25(31)34-5)17-8-6-7-9-18(17)28(27)19(29)14-15-10-12-16(32-3)13-11-15/h6-13H,14H2,1-5H3InChIKey
OWUYPDCYDXAJKM-UHFFFAOYSA-NSynonyms
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)CC4=CC=C(C=C4)OC)C
COc1ccc(cc1)CC(=O)N1c2ccccc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C
DIMETHYL2(1((4METHOXYPHENYL)ACETYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(4METHOXYPHENYL)ACETYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(4methoxyphenyl)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC27H25NO6S3c127(2)23(35)20(263621(24(30)334)22(3726)25(31)345)17867918(17)28(27)19(29)1415101216(323)131115h613H14H215H3
METHYL5(METHOXYCARBONYL)2(1(2(4METHOXYPHENYL)ACETYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
MFCD02817117
STK092585
ZINC000100115410
ZINC100115410
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