Vitas-M small molecule compound
(5Z)-1-(4-fluorophenyl)-5-[3-iodo-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170771
SMILES C=CCOc1c(I)cc(cc1OC)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)F
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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 C21H16FIN2O5 MW 522.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16FIN2O5/c1-3-8-30-18-16(23)10-12(11-17(18)29-2)9-15-19(26)24-21(28)25(20(15)27)14-6-4-13(22)5-7-14/h3-7,9-11H,1,8H2,2H3,(H,24,26,28)/b15-9-InChIKey
TVSWHGZZMQUICP-DHDCSXOGSA-NSynonyms
(5Z)1(4fluorophenyl)5((3iodo5methoxy4prop2enoxyphenyl)methylidene)13diazinane246trione
(5Z)1(4FLUOROPHENYL)5(3IODO5METHOXY4(PROP2EN1YLOXY)BENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
C=CCOc1c(I)cc(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)F
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)F)I)OCC=C
InChI=1SC21H16FIN2O5c138301816(23)1012(1117(18)292)91519(26)2421(28)25(20(15)27)146413(22)5714h37911H18H22H3(H242628)b159
MFCD02624049
ZINC000097960562
ZINC97960562
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