Vitas-M small molecule compound
(1R,5S)-3-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL527878
SMILES COc1ccc2c(c1)c1ncnc(c1[nH]2)N1C[C@H]2C[C@@H](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 C22H21N5O2 MW 387.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O2/c1-29-15-5-6-17-16(8-15)20-21(25-17)22(24-12-23-20)26-9-13-7-14(11-26)18-3-2-4-19(28)27(18)10-13/h2-6,8,12-14,25H,7,9-11H2,1H3/t13-,14+/m0/s1InChIKey
LBXOVHSMBNPCRC-UONOGXRCSA-NSynonyms
(1R5S)3(8methoxy5Hpyrimido(54b)indol4yl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)3(8methoxy5Hpyrimido(54b)indol4yl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
COc1ccc2c(c1)c1ncnc(c1(nH)2)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC22H21N5O2c12915561716(815)2021(2517)22(24122320)26913714(1126)1832419(28)27(18)1013h268121425H7911H21H3t1314+m0s1
MFCD03661109
ZINC001772492169
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