Vitas-M small molecule compound

(1S,5R)-3-(2-phenylbutanoyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL524675
SMILES CCC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)c1ccccc1

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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 C21H24N2O2 MW 336.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O2/c1-2-18(16-7-4-3-5-8-16)21(25)22-12-15-11-17(14-22)19-9-6-10-20(24)23(19)13-15/h3-10,15,17-18H,2,11-14H2,1H3/t15-,17+,18?/m1/s1
InChIKey
VBXUEFAIPJPNBO-OEQNEYKNSA-N
Synonyms
1212442-97-1
(1~(S)9~(R))11(2phenylbutanoyl)711diazatricyclo(7310^(27))trideca24dien6one
(1R5S)3(2phenylbutanoyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)3(2phenylbutanoyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
1212442971
16395489
CCC(C(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)c1ccccc1
InChI=1SC21H24N2O2c1218(167435816)21(25)2212151117(1422)19961020(24)23(19)1315h310151718H21114H21H3t1517+18?m1s1
MFCD01545188
ZINC000000518058
ZINC000000518059

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Available files

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