Vitas-M small molecule compound
(5Z)-1-(4-chloro-2,5-dimethoxyphenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL484412
SMILES COc1cc(Cl)c(cc1N1C(=O)NC(=O)/C(=C/c2cc(OC)c(c(c2)[N+](=O)[O-])O)/C1=O)OC
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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 C20H16ClN3O9 MW 477.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O9/c1-31-14-8-12(15(32-2)7-11(14)21)23-19(27)10(18(26)22-20(23)28)4-9-5-13(24(29)30)17(25)16(6-9)33-3/h4-8,25H,1-3H3,(H,22,26,28)/b10-4-InChIKey
PGAPWVXNKUNACJ-WMZJFQQLSA-NSynonyms
(5Z)1(4chloro25dimethoxyphenyl)5((4hydroxy3methoxy5nitrophenyl)methylidene)13diazinane246trione
(5Z)1(4chloro25dimethoxyphenyl)5(4hydroxy3methoxy5nitrobenzylidene)pyrimidine246(1H3H5H)trione
COC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3OC)Cl)OC
COc1cc(Cl)c(cc1N1C(=O)NC(=O)C(=Cc2cc(OC)c(c(c2)(N+)(=O)(O))O)C1=O)OC
InChI=1SC20H16ClN3O9c13114812(15(322)711(14)21)2319(27)10(18(26)2220(23)28)49513(24(29)30)17(25)16(69)333h4825H13H3(H222628)b104
MFCD30713501
ZINC000002959478
ZINC2959478
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