Vitas-M small molecule compound
3-{[5-(2,3-dihydro-1-benzofuran-5-yl)-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
STL476519
SMILES O=C(c1n[nH]c(c1)c1ccc2c(c1)CCO2)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 C23H22N4O3 MW 402.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3/c28-22-3-1-2-20-17-8-14(12-27(20)22)11-26(13-17)23(29)19-10-18(24-25-19)15-4-5-21-16(9-15)6-7-30-21/h1-5,9-10,14,17H,6-8,11-13H2,(H,24,25)InChIKey
KLVJSZKYELEMLK-UHFFFAOYSA-NSynonyms
(1R5S)3(3(23dihydrobenzofuran5yl)1Hpyrazole5carbonyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
3((5(23dihydro1benzofuran5yl)1Hpyrazol3yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
C1COC2=C1C=C(C=C2)C3=NNC(=C3)C(=O)N4CC5CC(C4)C6=CC=CC(=O)N6C5
InChI=1SC23H22N4O3c28223122017814(1227(20)22)1126(1317)23(29)191018(242519)15452116(915)673021h159101417H681113H2(H2425)
MFCD31751374
O=C(c1(nH)nc(c1)c1ccc2c(c1)CCO2)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
O=C(c1n(nH)c(c1)c1ccc2c(c1)CCO2)N1CC2CC(C1)c1n(C2)c(=O)ccc1
ZINC000225415128
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