Vitas-M small molecule compound
(5E)-1-(1,3-benzodioxol-5-yl)-5-[4-(propan-2-yloxy)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK136761
SMILES CC(Oc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2)C
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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 C21H18N2O6 MW 394.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6/c1-12(2)29-15-6-3-13(4-7-15)9-16-19(24)22-21(26)23(20(16)25)14-5-8-17-18(10-14)28-11-27-17/h3-10,12H,11H2,1-2H3,(H,22,24,26)/b16-9+InChIKey
ODWQGNSWZLUVCS-CXUHLZMHSA-NSynonyms
(5E)1(13BENZODIOXOL5YL)5((4PROPAN2YLOXYPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(13BENZODIOXOL5YL)5(4(PROPAN2YLOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC(C)OC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4
CC(Oc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2)C
InChI=1SC21H18N2O6c112(2)29156313(4715)91619(24)2221(26)23(20(16)25)14581718(1014)28112717h31012H11H212H3(H222426)b169+
MFCD03238074
ZINC000004681286
ZINC04681286
ZINC4681286
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