Vitas-M small molecule compound
cycloheptyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK373491
SMILES COc1cc(cc(c1O)Cl)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 C21H27ClN2O5 MW 422.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN2O5/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
YGUJUYPNBJSCNX-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)Cl)O)OC)C(=O)OC3CCCCCC3
cycloheptyl4(3chloro4hydroxy5methoxyphenyl)16dimethyl2oxo1234tetrahydropyrimidine5carboxylate
CYCLOHEPTYL6(3CHLORO4HYDROXY5METHOXYPHENYL)34DIMETHYL2OXO16DIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC21H27ClN2O5c11217(20(26)291486457914)18(2321(27)24(12)2)131015(22)19(25)16(1113)283h1011141825H49H213H3(H2327)
MFCD00718218
ZINC000000862356
ZINC000000862357
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