Vitas-M small molecule compound
(5E)-1-(1,3-benzodioxol-5-yl)-5-[4-(propan-2-yl)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK175051
SMILES CC(c1ccc(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 C21H18N2O5 MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5/c1-12(2)14-5-3-13(4-6-14)9-16-19(24)22-21(26)23(20(16)25)15-7-8-17-18(10-15)28-11-27-17/h3-10,12H,11H2,1-2H3,(H,22,24,26)/b16-9+InChIKey
CERYPVFRHVXJCG-CXUHLZMHSA-NSynonyms
428490-90-8(5E)1(13BENZODIOXOL5YL)5((4PROPAN2YLPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(13BENZODIOXOL5YL)5(4(PROPAN2YL)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
428490908
CC(C)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4
CC(c1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2)C
InChI=1SC21H18N2O5c112(2)145313(4614)91619(24)2221(26)23(20(16)25)15781718(1015)28112717h31012H11H212H3(H222426)b169+
MFCD02604561
ZINC000001174446
ZINC01174446
ZINC1174446
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