Vitas-M small molecule compound
10-(2-methyl-4-nitrophenyl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-8-carboxamide
Catalog ID
STL234621
SMILES O=C(C1C2C(C3N1N=Cc1c3cccc1)C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-])Nc1ccccc1
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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 C27H21N5O5 MW 495.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O5/c1-15-13-18(32(36)37)11-12-20(15)30-26(34)21-22(27(30)35)24(25(33)29-17-8-3-2-4-9-17)31-23(21)19-10-6-5-7-16(19)14-28-31/h2-14,21-24H,1H3,(H,29,33)InChIKey
BMHBAANJEBYHQF-UHFFFAOYSA-NSynonyms
(8R8aS11aR)10(2methyl4nitrophenyl)911dioxoNphenyl8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine8carboxamide
10(2methyl4nitrophenyl)911dioxoNphenyl8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)phthalazine8carboxamide
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)C(N4C3C5=CC=CC=C5C=N4)C(=O)NC6=CC=CC=C6
InChI=1SC27H21N5O5c1151318(32(36)37)111220(15)3026(34)2122(27(30)35)24(25(33)29178324917)3123(21)191065716(19)142831h2142124H1H3(H2933)
MFCD04079082
O=C((C@H)1(C@@H)2(C@H)(C3N1N=Cc1c3cccc1)C(=O)N(C2=O)c1ccc(cc1C)(N+)(=O)(O))Nc1ccccc1
O=C(C1C2C(C3N1N=Cc1c3cccc1)C(=O)N(C2=O)c1ccc(cc1C)(N+)(=O)(O))Nc1ccccc1
ZINC000009353095
ZINC000248076487
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.