Vitas-M small molecule compound
(5Z)-5-{3-ethoxy-4-[(4-nitrobenzyl)oxy]-5-(prop-2-en-1-yl)benzylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189627
SMILES CCOc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c2ccc(cc2)F)cc(c1OCc1ccc(cc1)[N+](=O)[O-])CC=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 C29H24FN3O6S MW 561.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24FN3O6S/c1-3-5-20-14-19(15-24-27(34)31-29(40)32(28(24)35)22-12-8-21(30)9-13-22)16-25(38-4-2)26(20)39-17-18-6-10-23(11-7-18)33(36)37/h3,6-16H,1,4-5,17H2,2H3,(H,31,34,40)/b24-15-InChIKey
VCORPANLMWFSQG-IWIPYMOSSA-NSynonyms
(5Z)5((3ethoxy4((4nitrophenyl)methoxy)5prop2enylphenyl)methylidene)1(4fluorophenyl)2sulfanylidene13diazinane46dione
(5Z)5(3ETHOXY4((4NITROBENZYL)OXY)5(PROP2EN1YL)BENZYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)(N+)(=O)(O))CC=C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F
CCOc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2)F)cc(c1OCc1ccc(cc1)(N+)(=O)(O))CC=C
InChI=1SC29H24FN3O6Sc135201419(152427(34)3129(40)32(28(24)35)2212821(30)91322)1625(3842)26(20)39171861023(11718)33(36)37h3616H14517H22H3(H313440)b2415
MFCD06253143
ZINC000100236192
ZINC100236192
Check stock
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