Vitas-M small molecule compound
3-{[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL476520
SMILES COc1ccc(cc1)c1[nH]nc(c1)C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1
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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 C22H22N4O3 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3/c1-29-17-7-5-15(6-8-17)18-10-19(24-23-18)22(28)25-11-14-9-16(13-25)20-3-2-4-21(27)26(20)12-14/h2-8,10,14,16H,9,11-13H2,1H3,(H,23,24)InChIKey
XDHILGUKIZFGFU-UHFFFAOYSA-NSynonyms
(1R5S)3(3(4methoxyphenyl)1Hpyrazole5carbonyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3((5(4methoxyphenyl)1Hpyrazol3yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CC4CC(C3)C5=CC=CC(=O)N5C4
COc1ccc(cc1)c1(nH)nc(c1)C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1
COc1ccc(cc1)c1n(nH)c(c1)C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC22H22N4O3c129177515(6817)181019(242318)22(28)251114916(1325)2032421(27)26(20)1214h28101416H91113H21H3(H2324)
MFCD31751375
ZINC000225418338
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