Vitas-M small molecule compound
methyl {2-[(E)-{2,4,6-trioxo-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]tetrahydropyrimidin-5(2H)-ylidene}methyl]phenoxy}acetate
Catalog ID
STK170367
SMILES COC(=O)COc1ccccc1/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
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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 C30H30N2O6 MW 514.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O6/c1-37-26(33)17-38-25-5-3-2-4-21(25)13-24-27(34)31-29(36)32(28(24)35)23-8-6-22(7-9-23)30-14-18-10-19(15-30)12-20(11-18)16-30/h2-9,13,18-20H,10-12,14-17H2,1H3,(H,31,34,36)/b24-13+InChIKey
XDASJSMVJZKHEE-ZMOGYAJESA-NSynonyms
COC(=O)COC1=CC=CC=C1C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5
COC(=O)COc1ccccc1C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3
InChI=1SC30H30N2O6c13726(33)173825532421(25)132427(34)3129(36)32(28(24)35)238622(7923)3014181019(1530)1220(1118)1630h29131820H10121417H21H3(H313436)b2413+
METHYL(2((1(4(1ADAMANTYL)PHENYL)246TRIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)PHENOXY)ACETATE
methyl(2((E)(246trioxo1(4(tricyclo(3311~37~)dec1yl)phenyl)tetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)acetate
METHYL2(2((E)(1(4(1ADAMANTYL)PHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETATE
MFCD02624033
ZINC000008749358
ZINC08749358
ZINC8749358
Check stock
See real-time availability and sample size for STK170367 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.