Vitas-M small molecule compound
(1R,5S)-3-[2-methoxy-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)benzyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL525439
SMILES COc1ccc(cc1CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C1NCCc2c1[nH]c1c2cccc1
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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 C30H32N4O2 MW 480.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O2/c1-36-27-10-9-20(29-30-24(11-12-31-29)23-5-2-3-6-25(23)32-30)14-22(27)18-33-15-19-13-21(17-33)26-7-4-8-28(35)34(26)16-19/h2-10,14,19,21,29,31-32H,11-13,15-18H2,1H3/t19-,21+,29?/m0/s1InChIKey
OHFLJCKMHMASJF-BHVFRRFQSA-NSynonyms
(1R5S)3(2methoxy5(2349tetrahydro1Hbetacarbolin1yl)benzyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)3(2methoxy5(2349tetrahydro1Hpyrido(34b)indol1yl)benzyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
COc1ccc(cc1CN1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C1NCCc2c1(nH)c1c2cccc1
InChI=1SC30H32N4O2c1362710920(293024(11123129)23523625(23)3230)1422(27)183315191321(1733)2674828(35)34(26)1619h210141921293132H11131518H21H3t1921+29?m0s1
MFCD01881695
ZINC000002151037
ZINC000002151038
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