Vitas-M small molecule compound
(6R,6aS)-3-nitro-6-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-ylcarbonyl)-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
STL550661
SMILES O=C([C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-])N1CCc2c(C1)c1ccccc1[nH]2
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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 C31H29N5O4 MW 535.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N5O4/c37-29-7-3-6-27-19-12-20(16-34(27)29)30-23(14-18-13-21(36(39)40)8-9-28(18)35(30)15-19)31(38)33-11-10-26-24(17-33)22-4-1-2-5-25(22)32-26/h1-9,13,19-20,23,30,32H,10-12,14-17H2/t19?,20?,23-,30+/m1/s1InChIKey
DUTHMEFWNNQEPL-TVOLQZPJSA-NSynonyms
(2~(S)3~(R))7nitro3(1345tetrahydropyrido(43b)indole2carbonyl)1119diazapentacyclo(11710^(211)0^(510)0^(1419))henicosa5(10)681416pentaen18one
(6R6aS)3nitro6(1345tetrahydro2Hpyrido(43b)indol2ylcarbonyl)66a781415hexahydro5H10H714methanopyrido(1256)(15)diazocino(12a)quinolin10one
(6R6aS)3nitro6(2345tetrahydro1Hpyrido(43b)indole2carbonyl)66a781415hexahydro714methanopyrido(1256)(15)diazocino(12a)quinolin10(5H)one
127253691
InChI=1SC31H29N5O4c372973627191220(1634(27)29)3023(14181321(36(39)40)8928(18)35(30)1519)31(38)3311102624(1733)22412525(22)3226h19131920233032H10121417H2t19?20?2330+m1s1
O=C((C@@H)1Cc2cc(ccc2N2(C@H)1C1CC(C2)c2n(C1)c(=O)ccc2)(N+)(=O)(O))N1CCc2c(C1)c1ccccc1(nH)2
ZINC001547138165
Check stock
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Check stock on Vitas-MAvailable files
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