Vitas-M small molecule compound
(5Z)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(2-ethylphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192570
SMILES CCc1ccccc1N1C(=S)NC(=O)/C(=C/c2ccc(o2)c2cc(ccc2Cl)[N+](=O)[O-])/C1=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 C23H16ClN3O5S MW 481.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN3O5S/c1-2-13-5-3-4-6-19(13)26-22(29)17(21(28)25-23(26)33)12-15-8-10-20(32-15)16-11-14(27(30)31)7-9-18(16)24/h3-12H,2H2,1H3,(H,25,28,33)/b17-12-InChIKey
BIDVJTJUJCYITF-ATVHPVEESA-NSynonyms
(5Z)5((5(2chloro5nitrophenyl)furan2yl)methylidene)1(2ethylphenyl)2sulfanylidene13diazinane46dione
(5Z)5((5(2CHLORO5NITROPHENYL)FURAN2YL)METHYLIDENE)1(2ETHYLPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C(=O)NC2=S
CCc1ccccc1N1C(=S)NC(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)(N+)(=O)(O))C1=O
InChI=1SC23H16ClN3O5Sc1213534619(13)2622(29)17(21(28)2523(26)33)121581020(3215)161114(27(30)31)7918(16)24h312H2H21H3(H252833)b1712
MFCD02623739
ZINC000009311350
ZINC09311350
ZINC9311350
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