Vitas-M small molecule compound
(5E)-1-(1,3-benzodioxol-5-yl)-5-(1-{[2-(1H-imidazol-5-yl)ethyl]amino}ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STL440602
SMILES C/C(=C\1/C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2)/NCCc1[nH]cnc1
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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 C18H17N5O5 MW 383.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O5/c1-10(20-5-4-11-7-19-8-21-11)15-16(24)22-18(26)23(17(15)25)12-2-3-13-14(6-12)28-9-27-13/h2-3,6-8,20H,4-5,9H2,1H3,(H,19,21)(H,22,24,26)/b15-10+InChIKey
MQACEJAWNLEIIN-XNTDXEJSSA-NSynonyms
(5E)1(13benzodioxol5yl)5(1((2(1Himidazol5yl)ethyl)amino)ethylidene)pyrimidine246(1H3H5H)trione
(5E)1(13BENZODIOXOL5YL)5(1(2(1HIMIDAZOL5YL)ETHYLAMINO)ETHYLIDENE)13DIAZINANE246TRIONE
CC(=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2)NCCc1(nH)cnc1
CC(=C1C(=O)NC(=O)N(C1=O)C2=CC3=C(C=C2)OCO3)NCCC4=CN=CN4
InChI=1SC18H17N5O5c110(20541171982111)1516(24)2218(26)23(17(15)25)12231314(612)2892713h236820H459H21H3(H1921)(H222426)b1510+
MFCD07756087
ZINC000006904190
ZINC6904190
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