Vitas-M small molecule compound
(6R,6aS)-6-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl}-3-nitro-6,6a,7,8,14,15-hexahydro-5H,10H-7,14-methanopyrido[1',2':5,6][1,5]diazocino[1,2-a]quinolin-10-one
Catalog ID
STL549396
SMILES O=C([C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccco1
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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 C29H29N5O6 MW 543.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N5O6/c35-26-5-1-3-23-19-13-20(17-32(23)26)27-22(15-18-14-21(34(38)39)6-7-24(18)33(27)16-19)28(36)30-8-10-31(11-9-30)29(37)25-4-2-12-40-25/h1-7,12,14,19-20,22,27H,8-11,13,15-17H2/t19?,20?,22-,27+/m1/s1InChIKey
SVACSTAYHMTCEZ-VIHDJIDPSA-NSynonyms
(2~(S)3~(R))3(4(furan2carbonyl)piperazine1carbonyl)7nitro1119diazapentacyclo(11710^(211)0^(510)0^(1419))henicosa5(10)681416pentaen18one
(6R6aS)6((4(furan2ylcarbonyl)piperazin1yl)carbonyl)3nitro66a781415hexahydro5H10H714methanopyrido(1256)(15)diazocino(12a)quinolin10one
(6R6aS)6(4(furan2carbonyl)piperazine1carbonyl)3nitro66a781415hexahydro714methanopyrido(1256)(15)diazocino(12a)quinolin10(5H)one
127253807
InChI=1SC29H29N5O6c352651323191320(1732(23)26)2722(15181421(34(38)39)6724(18)33(27)1619)28(36)3081031(11930)29(37)2542124025h17121419202227H811131517H2t19?20?2227+m1s1
O=C((C@@H)1Cc2cc(ccc2N2(C@H)1C1CC(C2)c2n(C1)c(=O)ccc2)(N+)(=O)(O))N1CCN(CC1)C(=O)c1ccco1
ZINC001547138171
Check stock
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