Vitas-M small molecule compound

(1R,5S)-3-[4-(1-methyl-1H-indol-3-yl)butanoyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

Catalog ID
STL579162
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])CCCc1cn(c2c1cccc2)C

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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 C24H26N4O4 MW 434.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O4/c1-25-14-17(19-6-2-3-7-21(19)25)5-4-8-23(29)26-12-16-11-18(15-26)20-9-10-22(28(31)32)24(30)27(20)13-16/h2-3,6-7,9-10,14,16,18H,4-5,8,11-13,15H2,1H3/t16-,18+/m0/s1
InChIKey
CAVIGONJSJWJMR-FUHWJXTLSA-N
Synonyms

(1R5S)3(4(1methyl1Hindol3yl)butanoyl)9nitro123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
(1R5S)3(4(1methyl1Hindol3yl)butanoyl)9nitro3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
InChI=1SC24H26N4O4c1251417(19623721(19)25)54823(29)2612161118(1526)2091022(28(31)32)24(30)27(20)1316h2367910141618H458111315H21H3t1618+m0s1
MFCD33397517
O=C(N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O))CCCc1cn(c2c1cccc2)C

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Available files

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