Vitas-M small molecule compound
10-[(3-bromo-4-methoxyphenyl)carbonyl]-8-(2-methoxy-5-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STL409674
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C(N1C2C=Cc2c1cccc2)C(=O)c1ccc(c(c1)Br)OC)[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 C29H22BrN3O7 MW 604.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22BrN3O7/c1-39-22-11-8-16(13-18(22)30)27(34)26-25-24(20-10-7-15-5-3-4-6-19(15)31(20)26)28(35)32(29(25)36)21-14-17(33(37)38)9-12-23(21)40-2/h3-14,20,24-26H,1-2H3InChIKey
CWHOHUMLWKNPKK-UHFFFAOYSA-NSynonyms
(6aS6bR9aS10R)10(3bromo4methoxybenzoyl)8(2methoxy5nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
10((3bromo4methoxyphenyl)carbonyl)8(2methoxy5nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)C6=CC(=C(C=C6)OC)Br
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)c1ccc(c(c1)Br)OC)(N+)(=O)(O)
COc1ccc(cc1N1C(=O)C2C(C1=O)C(N1C2C=Cc2c1cccc2)C(=O)c1ccc(c(c1)Br)OC)(N+)(=O)(O)
InChI=1SC29H22BrN3O7c1392211816(1318(22)30)27(34)262524(2010715534619(15)31(20)26)28(35)32(29(25)36)211417(33(37)38)91223(21)402h314202426H12H3
MFCD04075973
ZINC000103561702
ZINC000103561723
Check stock
See real-time availability and sample size for STL409674 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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