Vitas-M small molecule compound
3-{[5-(3-methylbutyl)-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
STL476928
SMILES CC(CCc1[nH]nc(c1)C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1)C
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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 C20H26N4O2 MW 354.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O2/c1-13(2)6-7-16-9-17(22-21-16)20(26)23-10-14-8-15(12-23)18-4-3-5-19(25)24(18)11-14/h3-5,9,13-15H,6-8,10-12H2,1-2H3,(H,21,22)InChIKey
HIZPKVGAXSWZRF-UHFFFAOYSA-NSynonyms
(1R5S)3(3isopentyl1Hpyrazole5carbonyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3((5(3methylbutyl)1Hpyrazol3yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CC(C)CCC1=CC(=NN1)C(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3
CC(CCc1(nH)nc(c1)C(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1)C
CC(CCc1n(nH)c(c1)C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C
InChI=1SC20H26N4O2c113(2)6716917(222116)20(26)231014815(1223)1843519(25)24(18)1114h3591315H681012H212H3(H2122)
MFCD31751389
ZINC000225415702
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