Vitas-M small molecule compound

ethyl (2Z)-2-(1-acetyl-7-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate

Catalog ID
STK091257
SMILES CCOC(=O)C1=C(S/C(=C/2\c3ccc(cc3N(C(C2=S)(C)C)C(=O)C)OC)/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 C26H25NO4S3 MW 511.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO4S3/c1-6-31-24(29)22-21(16-10-8-7-9-11-16)33-25(34-22)20-18-13-12-17(30-5)14-19(18)27(15(2)28)26(3,4)23(20)32/h7-14H,6H2,1-5H3/b25-20-
InChIKey
NANDRRDPCFZPKW-QQTULTPQSA-N
Synonyms
328070-85-5
(Z)ethyl2(1acetyl7methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
328070855
CCOC(=O)C1=C(SC(=C2C3=C(C=C(C=C3)OC)N(C(C2=S)(C)C)C(=O)C)S1)C4=CC=CC=C4
CCOC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)C)OC)S1)c1ccccc1
ETHYL(2Z)2(1ACETYL7METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ETHYL(2Z)2(1ACETYL7METHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
ETHYL2(1ACETYL7METHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)5PHENYL13DITHIOLE4CARBOXYLATE
InChI=1SC26H25NO4S3c163124(29)2221(16108791116)3325(3422)2018131217(305)1419(18)27(15(2)28)26(34)23(20)32h714H6H215H3b2520
MFCD00809946
STK091257
ZINC000001823620
ZINC01823620
ZINC1823620

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.