Vitas-M small molecule compound
(5Z)-1-(4-fluorophenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK028463
SMILES COc1cc(/C=C\2/C(=O)NC(=S)N(C2=O)c2ccc(cc2)F)cc(c1O)[N+](=O)[O-]
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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 C18H12FN3O6S MW 417.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12FN3O6S/c1-28-14-8-9(7-13(15(14)23)22(26)27)6-12-16(24)20-18(29)21(17(12)25)11-4-2-10(19)3-5-11/h2-8,23H,1H3,(H,20,24,29)/b12-6-InChIKey
XVZFUTVJBBDYEJ-SDQBBNPISA-NSynonyms
(5Z)1(4fluorophenyl)5((4hydroxy3methoxy5nitrophenyl)methylidene)2sulfanylidene13diazinane46dione
(5Z)1(4FLUOROPHENYL)5(4HYDROXY3METHOXY5NITROBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F
COc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2)F)cc(c1O)(N+)(=O)(O)
InChI=1SC18H12FN3O6Sc1281489(713(15(14)23)22(26)27)61216(24)2018(29)21(17(12)25)114210(19)3511h2823H1H3(H202429)b126
MFCD04534859
STK028463
ZINC000009136873
ZINC9136873
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