Vitas-M small molecule compound

3-(2-{3-hydroxy-4-[4-(4-methoxyphenyl)-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
STL512041
SMILES COc1ccc(cc1)c1c[nH]nc1c1ccc(cc1O)OCCN1CC2CC(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 C29H30N4O4 MW 498.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O4/c1-36-22-7-5-20(6-8-22)25-15-30-31-29(25)24-10-9-23(14-27(24)34)37-12-11-32-16-19-13-21(18-32)26-3-2-4-28(35)33(26)17-19/h2-10,14-15,19,21,34H,11-13,16-18H2,1H3,(H,30,31)
InChIKey
NSBJRYSKLKEOEM-UHFFFAOYSA-N
Synonyms
1207048-08-5
(1R5S)3(2(3hydroxy4(4(4methoxyphenyl)1Hpyrazol3yl)phenoxy)ethyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
11(2(3hydroxy4(4(4methoxyphenyl)1~(H)pyrazol5yl)phenoxy)ethyl)711diazatricyclo(7310^(27))trideca24dien6one
1207048085
135629594
3(2(3hydroxy4(4(4methoxyphenyl)1Hpyrazol3yl)phenoxy)ethyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
COc1ccc(cc1)c1c(nH)nc1c1ccc(cc1O)OCCN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC29H30N4O4c136227520(6822)2515303129(25)2410923(1427(24)34)3712113216191321(1832)2632428(35)33(26)1719h2101415192134H11131618H21H3(H3031)
MFCD11999714
ZINC000008791873

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Available files

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