Vitas-M small molecule compound
(5Z)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK025696
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2Cl)[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 C22H14ClN3O7 MW 467.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14ClN3O7/c1-32-14-5-2-12(3-6-14)25-21(28)17(20(27)24-22(25)29)11-15-7-9-19(33-15)16-8-4-13(26(30)31)10-18(16)23/h2-11H,1H3,(H,24,27,29)/b17-11-InChIKey
DSBZNOZRPWLNBB-BOPFTXTBSA-NSynonyms
(5Z)5((5(2CHLORO4NITROPHENYL)FURAN2YL)METHYLIDENE)1(4METHOXYPHENYL)13DIAZINANE246TRIONE
(5Z)5((5(2CHLORO4NITROPHENYL)FURAN2YL)METHYLIDENE)1(4METHOXYPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)(N+)(=O)(O))Cl)C(=O)NC2=O
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(o2)c2ccc(cc2Cl)(N+)(=O)(O))C1=O
InChI=1SC22H14ClN3O7c132145212(3614)2521(28)17(20(27)2422(25)29)11157919(3315)168413(26(30)31)1018(16)23h211H1H3(H242729)b1711
MFCD02212399
STK025696
ZINC000006645258
ZINC06645258
ZINC6645258
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