Vitas-M small molecule compound
(5E)-1-(1,3-benzodioxol-5-yl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170147
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc3c(c2)OCO3)cc(c1O)I
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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/c1-27-15-6-9(5-12(20)16(15)23)4-11-17(24)21-19(26)22(18(11)25)10-2-3-13-14(7-10)29-8-28-13/h2-7,23H,8H2,1H3,(H,21,24,26)/b11-4+InChIKey
SDBAODYXGGTQPP-NYYWCZLTSA-NSynonyms
(5E)1(13benzodioxol5yl)5((4hydroxy3iodo5methoxyphenyl)methylidene)13diazinane246trione
(5E)1(13BENZODIOXOL5YL)5(4HYDROXY3IODO5METHOXYBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)I)O
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc3c(c2)OCO3)cc(c1O)I
InChI=1SC19H13IN2O7c1271569(512(20)16(15)23)41117(24)2119(26)22(18(11)25)10231314(710)2982813h2723H8H21H3(H212426)b114+
MFCD04307900
ZINC000009259813
ZINC09259813
ZINC9259813
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