Vitas-M small molecule compound
1,3-benzodioxol-5-ylmethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK019605
SMILES COc1cc(ccc1O)C1NC(=O)NC(=C1C(=O)OCc1ccc2c(c1)OCO2)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 C21H20N2O7 MW 412.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O7/c1-11-18(20(25)28-9-12-3-6-15-17(7-12)30-10-29-15)19(23-21(26)22-11)13-4-5-14(24)16(8-13)27-2/h3-8,19,24H,9-10H2,1-2H3,(H2,22,23,26)InChIKey
IBCSITVKRADQAN-UHFFFAOYSA-NSynonyms
13benzodioxol5ylmethyl4(4hydroxy3methoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
13BENZODIOXOL5YLMETHYL4(4HYDROXY3METHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
2HBENZO(34D)13DIOXOLAN5YLMETHYL6(4HYDROXY3METHOXYPHENYL)4METHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)OC)C(=O)OCC3=CC4=C(C=C3)OCO4
COc1cc(ccc1O)C1NC(=O)NC(=C1C(=O)OCc1ccc2c(c1)OCO2)C
InChI=1SC21H20N2O7c11118(20(25)28912361517(712)30102915)19(2321(26)2211)134514(24)16(813)272h381924H910H212H3(H2222326)
MFCD01192780
STK019605
ZINC000000812920
ZINC000000812921
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