Vitas-M small molecule compound

cycloheptyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK373490
SMILES COc1cc(cc(c1O)Br)C1NC(=O)N(C(=C1C(=O)OC1CCCCCC1)C)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 C21H27BrN2O5 MW 467.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27BrN2O5/c1-12-17(20(26)29-14-8-6-4-5-7-9-14)18(23-21(27)24(12)2)13-10-15(22)19(25)16(11-13)28-3/h10-11,14,18,25H,4-9H2,1-3H3,(H,23,27)
InChIKey
WJXTWRIYGOCABD-UHFFFAOYSA-N
Synonyms

CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Br)O)OC)C(=O)OC3CCCCCC3
cycloheptyl4(3bromo4hydroxy5methoxyphenyl)16dimethyl2oxo1234tetrahydropyrimidine5carboxylate
CYCLOHEPTYL6(3BROMO4HYDROXY5METHOXYPHENYL)34DIMETHYL2OXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
CYCLOHEPTYL6(3BROMO4HYDROXY5METHOXYPHENYL)34DIMETHYL2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC21H27BrN2O5c11217(20(26)291486457914)18(2321(27)24(12)2)131015(22)19(25)16(1113)283h1011141825H49H213H3(H2327)
MFCD00718217
ZINC000000728160
ZINC000000728161

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Available files

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