Vitas-M small molecule compound

(6R,6aS)-N-[5-(1-methyl-1H-benzimidazol-2-yl)pentyl]-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
STL550421
SMILES O=C([C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-])NCCCCCc1nc2c(n1C)cccc2

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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 C33H36N6O4 MW 580.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N6O4/c1-36-29-9-5-4-8-26(29)35-30(36)11-3-2-6-15-34-33(41)25-18-21-17-24(39(42)43)13-14-28(21)38-19-22-16-23(32(25)38)20-37-27(22)10-7-12-31(37)40/h4-5,7-10,12-14,17,22-23,25,32H,2-3,6,11,15-16,18-20H2,1H3,(H,34,41)/t22?,23?,25-,32+/m1/s1
InChIKey
ORGURDQIIVWFAM-VKLNODTKSA-N
Synonyms

(2~(S)3~(R))~(N)(5(1methylbenzimidazol2yl)pentyl)7nitro18oxo1119diazapentacyclo(11710^(211)0^(510)0^(1419))henicosa5(10)681416pentaene3carboxamide
(6R6aS)N(5(1methyl1Hbenzimidazol2yl)pentyl)3nitro10oxo66a781415hexahydro5H10H714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
(6R6aS)N(5(1methyl1Hbenzo(d)imidazol2yl)pentyl)3nitro10oxo566a78101415octahydro714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
135639899
InChI=1SC33H36N6O4c13629954826(29)3530(36)11326153433(41)2518211724(39(42)43)131428(21)3819221623(32(25)38)203727(22)1071231(37)40h4571012141722232532H2361115161820H21H3(H3441)t22?23?2532+m1s1
O=C((C@@H)1Cc2cc(ccc2N2(C@H)1C1CC(C2)c2n(C1)c(=O)ccc2)(N+)(=O)(O))NCCCCCc1nc2c(n1C)cccc2
ZINC001547138646

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Available files

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