Vitas-M small molecule compound
(5Z)-5-[4-(benzyloxy)-5-methoxy-2-nitrobenzylidene]-1-(4-bromophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK059307
SMILES COc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)c(cc1OCc1ccccc1)[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 C25H18BrN3O7 MW 552.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrN3O7/c1-35-21-12-16(20(29(33)34)13-22(21)36-14-15-5-3-2-4-6-15)11-19-23(30)27-25(32)28(24(19)31)18-9-7-17(26)8-10-18/h2-13H,14H2,1H3,(H,27,30,32)/b19-11-InChIKey
PTOCBKRDBAUXEN-ODLFYWEKSA-NSynonyms
(5Z)1(4bromophenyl)5((5methoxy2nitro4phenylmethoxyphenyl)methylidene)13diazinane246trione
(5Z)5(4(BENZYLOXY)5METHOXY2NITROBENZYLIDENE)1(4BROMOPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C=C(C(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)(N+)(=O)(O))OCC4=CC=CC=C4
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(cc2)Br)c(cc1OCc1ccccc1)(N+)(=O)(O)
InChI=1SC25H18BrN3O7c135211216(20(29(33)34)1322(21)3614155324615)111923(30)2725(32)28(24(19)31)189717(26)81018h213H14H21H3(H273032)b1911
MFCD02781461
STK059307
ZINC000100194331
ZINC100194331
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