Vitas-M small molecule compound
methyl 4-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK521546
SMILES COC(=O)C1=C(C)NC(=O)NC1c1cc(Br)c(c(c1)OC)OCc1ccccc1
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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 C21H21BrN2O5 MW 461.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2O5/c1-12-17(20(25)28-3)18(24-21(26)23-12)14-9-15(22)19(16(10-14)27-2)29-11-13-7-5-4-6-8-13/h4-10,18H,11H2,1-3H3,(H2,23,24,26)InChIKey
SSIFZNYEKVUOQD-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)C(=O)OC
InChI=1SC21H21BrN2O5c11217(20(25)283)18(2421(26)2312)14915(22)19(16(1014)272)2911137546813h41018H11H213H3(H2232426)
METHYL4(3BROMO5METHOXY4PHENYLMETHOXYPHENYL)6METHYL2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
methyl4(4(benzyloxy)3bromo5methoxyphenyl)6methyl2oxo1234tetrahydropyrimidine5carboxylate
MFCD02378183
ZINC000001160524
ZINC000001160525
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