Vitas-M small molecule compound
diethyl 2-(7-methoxy-2,2-dimethyl-1-pentanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789696
SMILES CCCCC(=O)N1c2cc(OC)ccc2/C(=C\2/SC(=C(S2)C(=O)OCC)C(=O)OCC)/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 C26H31NO6S3 MW 549.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO6S3/c1-7-10-11-18(28)27-17-14-15(31-6)12-13-16(17)19(22(34)26(27,4)5)25-35-20(23(29)32-8-2)21(36-25)24(30)33-9-3/h12-14H,7-11H2,1-6H3InChIKey
FMSUTILRFXFXDS-UHFFFAOYSA-NSynonyms
4600-69-54600695
CCCCC(=O)N1C2=C(C=CC(=C2)OC)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C
CCCCC(=O)N1c2cc(OC)ccc2C(=C2SC(=C(S2)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C
DIETHYL2(7METHOXY22DIMETHYL1PENTANOYL3SULFANYLIDENE(QUINOLIN4YL)IDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(7METHOXY22DIMETHYL1PENTANOYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(7methoxy22dimethyl1pentanoyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H31NO6S3c17101118(28)27171415(316)121316(17)19(22(34)26(274)5)253520(23(29)3282)21(3625)24(30)3393h1214H711H216H3
MFCD01796157
ZINC000097949650
ZINC97949650
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