Vitas-M small molecule compound
(5E)-1-(1,3-benzodioxol-5-yl)-5-(2-hydroxy-5-iodo-3-methoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK022153
SMILES COc1cc(I)cc(c1O)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
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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 C19H13IN2O7 MW 508.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13IN2O7/c1-27-15-6-10(20)4-9(16(15)23)5-12-17(24)21-19(26)22(18(12)25)11-2-3-13-14(7-11)29-8-28-13/h2-7,23H,8H2,1H3,(H,21,24,26)/b12-5+InChIKey
OAVQVZVYMLFUQN-LFYBBSHMSA-NSynonyms
(5E)1(13BENZODIOXOL5YL)5((2HYDROXY5IODO3METHOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(13BENZODIOXOL5YL)5(2HYDROXY5IODO3METHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C(=CC(=C1)I)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)O
COc1cc(I)cc(c1O)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC19H13IN2O7c12715610(20)49(16(15)23)51217(24)2119(26)22(18(12)25)11231314(711)2982813h2723H8H21H3(H212426)b125+
MFCD03247865
STK022153
ZINC000013940419
ZINC13940419
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