Vitas-M small molecule compound
ethyl 1-{(E)-[1-(1,3-benzodioxol-5-ylmethyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}piperidine-4-carboxylate
Catalog ID
STK027666
SMILES CCOC(=O)C1CCN(CC1)/C=C/1\C(=O)NC(=O)N(C1=O)Cc1ccc2c(c1)OCO2
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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 C21H23N3O7 MW 429.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O7/c1-2-29-20(27)14-5-7-23(8-6-14)11-15-18(25)22-21(28)24(19(15)26)10-13-3-4-16-17(9-13)31-12-30-16/h3-4,9,11,14H,2,5-8,10,12H2,1H3,(H,22,25,28)/b15-11+InChIKey
IEMHVAVYGSUDRD-RVDMUPIBSA-NSynonyms
CCOC(=O)C1CCN(CC1)C=C1C(=O)NC(=O)N(C1=O)Cc1ccc2c(c1)OCO2
CCOC(=O)C1CCN(CC1)C=C2C(=O)NC(=O)N(C2=O)CC3=CC4=C(C=C3)OCO4
ethyl1((E)(1(13benzodioxol5ylmethyl)246trioxo13diazinan5ylidene)methyl)piperidine4carboxylate
ETHYL1((E)(1(13BENZODIOXOL5YLMETHYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PIPERIDINE4CARBOXYLATE
InChI=1SC21H23N3O7c122920(27)145723(8614)111518(25)2221(28)24(19(15)26)1013341617(913)31123016h3491114H2581012H21H3(H222528)b1511+
MFCD03554338
STK027666
ZINC000027832175
ZINC27832175
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