Vitas-M small molecule compound
3-{2-[3-hydroxy-4-(4-phenyl-1H-pyrazol-3-yl)phenoxy]ethyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL512042
SMILES Oc1cc(OCCN2CC3CC(C2)c2n(C3)c(=O)ccc2)ccc1c1n[nH]cc1c1ccccc1
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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 C28H28N4O3 MW 468.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O3/c33-26-14-22(9-10-23(26)28-24(15-29-30-28)20-5-2-1-3-6-20)35-12-11-31-16-19-13-21(18-31)25-7-4-8-27(34)32(25)17-19/h1-10,14-15,19,21,33H,11-13,16-18H2,(H,29,30)InChIKey
IMWMUPXTXHAHKK-UHFFFAOYSA-NSynonyms
1207029-64-8(1R5S)3(2(3hydroxy4(4phenyl1Hpyrazol3yl)phenoxy)ethyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
11(2(3hydroxy4(4phenyl1~(H)pyrazol5yl)phenoxy)ethyl)711diazatricyclo(7310^(27))trideca24dien6one
1207029648
135629595
3(2(3hydroxy4(4phenyl1Hpyrazol3yl)phenoxy)ethyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
InChI=1SC28H28N4O3c33261422(91023(26)2824(15293028)205213620)3512113116191321(1831)2574827(34)32(25)1719h1101415192133H11131618H2(H2930)
MFCD11999715
Oc1cc(OCCN2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)ccc2)ccc1c1n(nH)cc1c1ccccc1
ZINC000101266814
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