Vitas-M small molecule compound
(6R,6aS)-N-[1-(4-methoxyphenyl)-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
STL550389
SMILES COc1ccc(cc1)C(C(C)C)NC(=O)[C@@H]1Cc2cc(ccc2N2[C@H]1[C@H]1C[C@@H](C2)c2n(C1)c(=O)ccc2)[N+](=O)[O-]
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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 C31H34N4O5 MW 542.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N4O5/c1-18(2)29(19-7-10-24(40-3)11-8-19)32-31(37)25-15-20-14-23(35(38)39)9-12-27(20)34-16-21-13-22(30(25)34)17-33-26(21)5-4-6-28(33)36/h4-12,14,18,21-22,25,29-30H,13,15-17H2,1-3H3,(H,32,37)/t21?,22?,25-,29?,30+/m1/s1InChIKey
QZTPDYZSVYBBHM-VIQBYURFSA-NSynonyms
(2~(S)3~(R))~(N)(1(4methoxyphenyl)2methylpropyl)7nitro18oxo1119diazapentacyclo(11710^(211)0^(510)0^(1419))henicosa5(10)681416pentaene3carboxamide
(6R6aS)N(1(4methoxyphenyl)2methylpropyl)3nitro10oxo566a78101415octahydro714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
(6R6aS)N(1(4methoxyphenyl)2methylpropyl)3nitro10oxo66a781415hexahydro5H10H714methanopyrido(1256)(15)diazocino(12a)quinoline6carboxamide
127253768
COc1ccc(cc1)C(C(C)C)NC(=O)(C@@H)1Cc2cc(ccc2N2(C@H)1C1CC(C2)c2n(C1)c(=O)ccc2)(N+)(=O)(O)
InChI=1SC31H34N4O5c118(2)29(1971024(403)11819)3231(37)2515201423(35(38)39)91227(20)3416211322(30(25)34)173326(21)54628(33)36h41214182122252930H131517H213H3(H3237)t21?22?2529?30+m1s1
ZINC001547138169
ZINC001547138170
Check stock
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Check stock on Vitas-MAvailable files
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