Vitas-M small molecule compound
(5Z)-1-(1,3-benzodioxol-5-yl)-5-[3-iodo-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170843
SMILES C=CCOc1c(I)cc(cc1OC)/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 C22H17IN2O7 MW 548.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17IN2O7/c1-3-6-30-19-15(23)8-12(9-18(19)29-2)7-14-20(26)24-22(28)25(21(14)27)13-4-5-16-17(10-13)32-11-31-16/h3-5,7-10H,1,6,11H2,2H3,(H,24,26,28)/b14-7-InChIKey
NBVIZVBLHSNYMO-AUWJEWJLSA-NSynonyms
(5Z)1(13benzodioxol5yl)5((3iodo5methoxy4prop2enoxyphenyl)methylidene)13diazinane246trione
(5Z)1(13BENZODIOXOL5YL)5(3IODO5METHOXY4(PROP2EN1YLOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
C=CCOc1c(I)cc(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)I)OCC=C
InChI=1SC22H17IN2O7c136301915(23)812(918(19)292)71420(26)2422(28)25(21(14)27)13451617(1013)32113116h35710H1611H22H3(H242628)b147
MFCD03245218
ZINC000097960565
ZINC97960565
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