Vitas-M small molecule compound

ethyl (2Z)-2-{1-[(2,5-dioxopyrrolidin-1-yl)acetyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-5-phenyl-1,3-dithiole-4-carboxylate

Catalog ID
STK028594
SMILES CCOC(=O)C1=C(S/C(=C/2\c3cc(OCC)ccc3N(C(C2=S)(C)C)C(=O)CN2C(=O)CCC2=O)/S1)c1ccccc1

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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 C31H30N2O6S3 MW 622.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O6S3/c1-5-38-19-12-13-21-20(16-19)25(28(40)31(3,4)33(21)24(36)17-32-22(34)14-15-23(32)35)30-41-26(18-10-8-7-9-11-18)27(42-30)29(37)39-6-2/h7-13,16H,5-6,14-15,17H2,1-4H3/b30-25-
InChIKey
GQWPEOPQNGVOFN-JVCXMKTPSA-N
Synonyms

(Z)ethyl2(1(2(25dioxopyrrolidin1yl)acetyl)6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
CCOC(=O)C1=C(SC(=C2c3cc(OCC)ccc3N(C(C2=S)(C)C)C(=O)CN2C(=O)CCC2=O)S1)c1ccccc1
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)(C)C)C(=O)CN5C(=O)CCC5=O
ETHYL(2Z)2(1((25DIOXOPYRROLIDIN1YL)ACETYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ethyl(2Z)2(1(2(25dioxopyrrolidin1yl)acetyl)6ethoxy22dimethyl3sulfanylidenequinolin4ylidene)5phenyl13dithiole4carboxylate
ETHYL2(1(2(25DIOXOAZOLIDINYL)ACETYL)6ETHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5PHENYL13DITHIOLENE4CARBOXYLATE
InChI=1SC31H30N2O6S3c15381912132120(1619)25(28(40)31(34)33(21)24(36)173222(34)141523(32)35)304126(18108791118)27(4230)29(37)3962h71316H56141517H214H3b3025
MFCD01363144
STK028594
ZINC000097958125
ZINC97958125

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Available files

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