Vitas-M small molecule compound
(5E)-5-[4-(butan-2-yloxy)-3-chlorobenzylidene]-1-(pyridin-3-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK140993
SMILES CCC(Oc1ccc(cc1Cl)/C=C/1\C(=O)NC(=O)N(C1=O)c1cccnc1)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 C20H18ClN3O4 MW 399.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O4/c1-3-12(2)28-17-7-6-13(10-16(17)21)9-15-18(25)23-20(27)24(19(15)26)14-5-4-8-22-11-14/h4-12H,3H2,1-2H3,(H,23,25,27)/b15-9+InChIKey
ATNCNVASFPJZIE-OQLLNIDSSA-NSynonyms
(5E)5((4BUTAN2YLOXY3CHLOROPHENYL)METHYLIDENE)1PYRIDIN3YL13DIAZINANE246TRIONE
(5E)5(4(BUTAN2YLOXY)3CHLOROBENZYLIDENE)1(PYRIDIN3YL)PYRIMIDINE246(1H3H5H)TRIONE
CCC(C)OC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CN=CC=C3)Cl
CCC(Oc1ccc(cc1Cl)C=C1C(=O)NC(=O)N(C1=O)c1cccnc1)C
InChI=1SC20H18ClN3O4c1312(2)28177613(1016(17)21)91518(25)2320(27)24(19(15)26)14548221114h412H3H212H3(H232527)b159+
MFCD04361791
ZINC000004682275
ZINC000004682276
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