Vitas-M small molecule compound
cycloheptyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK011567
SMILES O=C1NC(=C(C(N1)c1cc2OCOc2cc1Br)C(=O)OC1CCCCCC1)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 C20H23BrN2O5 MW 451.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23BrN2O5/c1-11-17(19(24)28-12-6-4-2-3-5-7-12)18(23-20(25)22-11)13-8-15-16(9-14(13)21)27-10-26-15/h8-9,12,18H,2-7,10H2,1H3,(H2,22,23,25)InChIKey
NANGDBFGRACSQX-UHFFFAOYSA-NSynonyms
296263-36-0296263360
CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OC4CCCCCC4
cycloheptyl4(6bromo13benzodioxol5yl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
CYCLOHEPTYL4(6BROMO13BENZODIOXOL5YL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC20H23BrN2O5c11117(19(24)281264235712)18(2320(25)2211)1381516(914(13)21)27102615h891218H2710H21H3(H2222325)
MFCD00352951
O=C1NC(=C(C(N1)c1cc2OCOc2cc1Br)C(=O)OC1CCCCCC1)C
STK011567
ZINC000000823571
ZINC000000823572
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