Vitas-M small molecule compound
ethyl (2Z)-2-(1-acryloyl-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Catalog ID
STK070902
SMILES CCOC(=O)C1=C(S/C(=C/2\c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)C=C)C)/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 C28H27NO3S3 MW 521.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO3S3/c1-7-21(30)29-20-15-17(4)16(3)14-19(20)22(25(33)28(29,5)6)27-34-23(18-12-10-9-11-13-18)24(35-27)26(31)32-8-2/h7,9-15H,1,8H2,2-6H3/b27-22-InChIKey
IJIADOSRCKHCIE-QYQHSDTDSA-NSynonyms
CCOC(=O)C1=C(SC(=C2C3=CC(=C(C=C3N(C(C2=S)(C)C)C(=O)C=C)C)C)S1)C4=CC=CC=C4
CCOC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)C=C)C)S1)c1ccccc1
ethyl(2Z)2(1acryloyl2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)5phenyl13dithiole4carboxylate
ethyl(2Z)5phenyl2(2267tetramethyl1prop2enoyl3sulfanylidenequinolin4ylidene)13dithiole4carboxylate
InChI=1SC28H27NO3S3c1721(30)29201517(4)16(3)1419(20)22(25(33)28(295)6)273423(1812109111318)24(3527)26(31)3282h7915H18H226H3b2722
MFCD01156103
STK070902
ZINC000013898600
ZINC13898600
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