Vitas-M small molecule compound

(2R,6S)-3-{[1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinolin-3-yl]carbonyl}-1,2,3,4,5,6-hexahydro-10H-2,6-methanopyrido[1,2-d][1,4]diazocin-10-one

Catalog ID
STL565181
SMILES CCn1cc(C(=O)N2CC[C@@H]3C[C@H]2Cn2c3cccc2=O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F

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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 C28H32FN5O3 MW 505.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32FN5O3/c1-3-31-17-21(27(36)20-14-22(29)25(15-24(20)31)32-11-9-30(2)10-12-32)28(37)33-8-7-18-13-19(33)16-34-23(18)5-4-6-26(34)35/h4-6,14-15,17-19H,3,7-13,16H2,1-2H3/t18-,19+/m0/s1
InChIKey
FRAAUNSBDSLMFP-RBUKOAKNSA-N
Synonyms

(1S9R)10(1ethyl6fluoro7(4methylpiperazin1yl)4oxoquinoline3carbonyl)710diazatricyclo(731027)trideca24dien6one
(2R6S)3((1ethyl6fluoro7(4methylpiperazin1yl)4oxo14dihydroquinolin3yl)carbonyl)123456hexahydro10H26methanopyrido(12d)(14)diazocin10one
(2R6S)3(1ethyl6fluoro7(4methylpiperazin1yl)4oxo14dihydroquinoline3carbonyl)3456tetrahydro1H26methanopyrido(12d)(14)diazocin10(2H)onehydrochloride
1427553
CCn1cc(C(=O)N2CC(C@H)3C(C@@H)2Cn2c3cccc2=O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)FCl
InChI=1SC28H32FN5O3c13311721(27(36)201422(29)25(1524(20)31)3211930(2)101232)28(37)3387181319(33)163423(18)54626(34)35h4614151719H371316H212H3t1819+m0s1
MFCD32651184
ZINC000001323044

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Available files

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