Vitas-M small molecule compound
ethyl (2Z)-2-(1-hexanoyl-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Catalog ID
STK789361
SMILES CCCCCC(=O)N1c2ccc(cc2/C(=C/2\SC(=C(S2)C(=O)OCC)c2ccccc2)/C(=S)C1(C)C)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 C30H33NO4S3 MW 567.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO4S3/c1-6-8-10-15-23(32)31-22-17-16-20(34-5)18-21(22)24(27(36)30(31,3)4)29-37-25(19-13-11-9-12-14-19)26(38-29)28(33)35-7-2/h9,11-14,16-18H,6-8,10,15H2,1-5H3/b29-24-InChIKey
LXASEDYNDQKQBU-OLFWJLLRSA-NSynonyms
(Z)ethyl2(1hexanoyl6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
CCCCCC(=O)N1C2=C(C=C(C=C2)OC)C(=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)C(=S)C1(C)C
CCCCCC(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OCC)c2ccccc2)C(=S)C1(C)C)OC
ETHYL(2Z)2(1HEXANOYL6METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ethyl(2Z)2(1hexanoyl6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
InChI=1SC30H33NO4S3c168101523(32)3122171620(345)1821(22)24(27(36)30(313)4)293725(1913119121419)26(3829)28(33)3572h911141618H681015H215H3b2924
MFCD01138019
ZINC000097968837
ZINC97968837
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