Vitas-M small molecule compound
methyl 3-{[(E)-(1-cycloheptyl-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)methyl]amino}benzoate
Catalog ID
STL052645
SMILES COC(=O)c1cccc(c1)N/C=C/1\C(=NC(=O)N(C1=O)C1CCCCCC1)O
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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 C20H23N3O5 MW 385.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O5/c1-28-19(26)13-7-6-8-14(11-13)21-12-16-17(24)22-20(27)23(18(16)25)15-9-4-2-3-5-10-15/h6-8,11-12,15,21H,2-5,9-10H2,1H3,(H,22,24,27)/b16-12+InChIKey
UVGOMUNBVYGUSM-FOWTUZBSSA-NSynonyms
COC(=O)C1=CC(=CC=C1)NC=C2C(=O)NC(=O)N(C2=O)C3CCCCCC3
COC(=O)c1cccc(c1)NC=C1C(=NC(=O)N(C1=O)C1CCCCCC1)O
InChI=1SC20H23N3O5c12819(26)1376814(1113)21121617(24)2220(27)23(18(16)25)15942351015h6811121521H25910H21H3(H222427)b1612+
METHYL3(((E)(1CYCLOHEPTYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOATE
methyl3(((E)(1cycloheptyl4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)amino)benzoate
MFCD05728952
ZINC000005515977
ZINC05515977
ZINC5515977
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