Vitas-M small molecule compound
(6R,6aS)-6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-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
STL550451
SMILES COc1cc2CCN(Cc2cc1OC)C(=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 C31H32N4O6 MW 556.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N4O6/c1-40-27-13-18-8-9-32(15-20(18)14-28(27)41-2)31(37)24-12-19-11-23(35(38)39)6-7-26(19)34-16-21-10-22(30(24)34)17-33-25(21)4-3-5-29(33)36/h3-7,11,13-14,21-22,24,30H,8-10,12,15-17H2,1-2H3/t21?,22?,24-,30+/m1/s1InChIKey
CBSFMLAMYSBPAY-SWGYAFRJSA-NSynonyms
(2~(S)3~(R))3(67dimethoxy34dihydro1~(H)isoquinoline2carbonyl)7nitro1119diazapentacyclo(11710^(211)0^(510)0^(1419))henicosa5(10)681416pentaen18one
(6R6aS)6((67dimethoxy34dihydroisoquinolin2(1H)yl)carbonyl)3nitro66a781415hexahydro5H10H714methanopyrido(1256)(15)diazocino(12a)quinolin10one
(6R6aS)6(67dimethoxy1234tetrahydroisoquinoline2carbonyl)3nitro66a781415hexahydro714methanopyrido(1256)(15)diazocino(12a)quinolin10(5H)one
127253989
COc1cc2CCN(Cc2cc1OC)C(=O)(C@@H)1Cc2cc(ccc2N2(C@H)1C1CC(C2)c2n(C1)c(=O)ccc2)(N+)(=O)(O)
InChI=1SC31H32N4O6c1402713188932(1520(18)1428(27)412)31(37)2412191123(35(38)39)6726(19)3416211022(30(24)34)173325(21)43529(33)36h3711131421222430H810121517H212H3t21?22?2430+m1s1
ZINC001547138163
Check stock
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Check stock on Vitas-MAvailable files
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