Vitas-M small molecule compound

(1R,5R)-3-(5,8-dimethyl-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
STL546983
SMILES Cc1ccc2c(c1)c1ncnc(c1n2C)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 C23H23N5O MW 385.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O/c1-14-6-7-19-17(8-14)21-22(26(19)2)23(25-13-24-21)27-10-15-9-16(12-27)18-4-3-5-20(29)28(18)11-15/h3-8,13,15-16H,9-12H2,1-2H3/t15-,16+/m0/s1
InChIKey
DJYOXEJWDHCKCO-JKSUJKDBSA-N
Synonyms

(1R5R)3(58dimethyl5Hpyrimido(54b)indol4yl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)3(58dimethyl5Hpyrimido(54b)indol4yl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
Cc1ccc2c(c1)c1ncnc(c1n2C)N1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC23H23N5Oc114671917(814)2122(26(19)2)23(25132421)271015916(1227)1843520(29)28(18)1115h38131516H912H212H3t1516+m0s1
MFCD05674427
ZINC000100764493

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Available files

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