Vitas-M small molecule compound
N-[(diphenylphosphoryl)(4-ethoxyphenyl)methyl]-1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-amine
Catalog ID
STK086338
SMILES CCOc1ccc(cc1)C(P(=O)(c1ccccc1)c1ccccc1)NC12CN3CN(C2)CN(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 C28H33N4O2P MW 488.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N4O2P/c1-2-34-24-15-13-23(14-16-24)27(29-28-17-30-20-31(18-28)22-32(19-28)21-30)35(33,25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,27,29H,2,17-22H2,1H3InChIKey
UVMCUXDIWHCRCJ-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)C(NC23CN4CN(C2)CN(C3)C4)P(=O)(C5=CC=CC=C5)C6=CC=CC=C6
CCOc1ccc(cc1)C(P(=O)(c1ccccc1)c1ccccc1)NC12CN3CN(C2)CN(C1)C3
InChI=1SC28H33N4O2Pc123424151323(141624)27(292817302031(1828)2232(1928)2130)35(332595361025)26117481226h3162729H21722H21H3
MFCD08671505
N((diphenylphosphoryl)(4ethoxyphenyl)methyl)135triazatricyclo(3311~37~)decan7amine
STK086338
ZINC000098045133
ZINC000098045134
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