Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK777406
SMILES CCOC(=O)C1=C(CN2CCN(CC2)c2ccc(cc2)[N+](=O)[O-])NC(=O)NC1c1ccc2c(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 C25H27N5O7 MW 509.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O7/c1-2-35-24(31)22-19(26-25(32)27-23(22)16-3-8-20-21(13-16)37-15-36-20)14-28-9-11-29(12-10-28)17-4-6-18(7-5-17)30(33)34/h3-8,13,23H,2,9-12,14-15H2,1H3,(H2,26,27,32)InChIKey
IQCVIMPQRFRPOL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CN2CCN(CC2)c2ccc(cc2)(N+)(=O)(O))NC(=O)NC1c1ccc2c(c1)OCO2
CCOC(=O)C1=C(NC(=O)NC1C2=CC3=C(C=C2)OCO3)CN4CCN(CC4)C5=CC=C(C=C5)(N+)(=O)(O)
ethyl4(13benzodioxol5yl)6((4(4nitrophenyl)piperazin1yl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL4(13BENZODIOXOL5YL)6((4(4NITROPHENYL)PIPERAZIN1YL)METHYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC25H27N5O7c123524(31)2219(2625(32)2723(22)16382021(1316)37153620)142891129(121028)174618(7517)30(33)34h381323H29121415H21H3(H2262732)
MFCD05260503
ZINC000012412571
ZINC000012412573
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