Vitas-M small molecule compound
(6R,6aS)-N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-nitro-10-oxo-6,6a,7,8,14,15-hexahydro-5H,10H-7,14-methanopyrido[1',2':5,6][1,5]diazocino[1,2-a]quinoline-6-carboxamide
Catalog ID
STL551434
SMILES O=C([C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-])N[C@H](c1nc2c([nH]1)cccc2)C(C)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 C31H32N6O4 MW 552.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N6O4/c1-17(2)28(30-32-23-6-3-4-7-24(23)33-30)34-31(39)22-14-18-13-21(37(40)41)10-11-26(18)36-15-19-12-20(29(22)36)16-35-25(19)8-5-9-27(35)38/h3-11,13,17,19-20,22,28-29H,12,14-16H2,1-2H3,(H,32,33)(H,34,39)/t19?,20?,22-,28+,29+/m1/s1InChIKey
WYIMPPSRXTWMJR-BDFGOIJISA-NSynonyms
(2~(S)3~(R))~(N)((1~(S))1(1~(H)benzimidazol2yl)2methylpropyl)7nitro18oxo1119diazapentacyclo(11710^(211)0^(510)0^(1419))henicosa5(10)681416pentaene3carboxamide
(6R6aS)N((1S)1(1Hbenzimidazol2yl)2methylpropyl)3nitro10oxo66a781415hexahydro5H10H714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
(6R6aS)N((S)1(1Hbenzo(d)imidazol2yl)2methylpropyl)3nitro10oxo566a78101415octahydro714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
127253799
InChI=1SC31H32N6O4c117(2)28(303223634724(23)3330)3431(39)2214181321(37(40)41)101126(18)3615191220(29(22)36)163525(19)85927(35)38h31113171920222829H121416H212H3(H3233)(H3439)t19?20?2228+29+m1s1
O=C((C@@H)1Cc2cc(ccc2N2(C@H)1C1CC(C2)c2n(C1)c(=O)ccc2)(N+)(=O)(O))N(C@H)(c1nc2c((nH)1)cccc2)C(C)C
ZINC000618251088
Check stock
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