Vitas-M small molecule compound
(8S,8aR,11aS)-N-(4-chlorophenyl)-10-(2-methoxy-5-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Catalog ID
STK544155
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2ccc(cc2)Cl)C=Cc2c1cccc2)[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 C28H21ClN4O6 MW 544.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN4O6/c1-39-21-11-10-18(33(37)38)14-20(21)32-27(35)22-23(28(32)36)25(26(34)30-17-8-6-16(29)7-9-17)31-13-12-15-4-2-3-5-19(15)24(22)31/h2-14,22-25H,1H3,(H,30,34)/t22-,23+,24?,25-/m0/s1InChIKey
DQHRRIALCJSXKU-NPZNXQLHSA-NSynonyms
1014081-70-9(8S8aR11aS)N(4chlorophenyl)10(2methoxy5nitrophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
1014081709
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=C4)C(=O)NC6=CC=C(C=C6)Cl
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)C1N((C@@H)2C(=O)Nc2ccc(cc2)Cl)C=Cc2c1cccc2)(N+)(=O)(O)
InChI=1SC28H21ClN4O6c13921111018(33(37)38)1420(21)3227(35)2223(28(32)36)25(26(34)30178616(29)7917)31131215423519(15)24(22)31h2142225H1H3(H3034)t2223+24?25m0s1
MFCD18242132
ZINC000001310914
ZINC000100883152
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.