Vitas-M small molecule compound
(6aS,6bR,9aS,10R)-10-(1H-benzotriazol-1-ylcarbonyl)-8-(4-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Catalog ID
STK542878
SMILES O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2
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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 C27H18N6O5 MW 506.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18N6O5/c34-25-22-21-14-9-15-5-1-3-7-19(15)31(21)24(27(36)32-20-8-4-2-6-18(20)28-29-32)23(22)26(35)30(25)16-10-12-17(13-11-16)33(37)38/h1-14,21-24H/t21-,22-,23-,24+/m0/s1InChIKey
SQRGCEZSXCVBFE-NEWJYFPISA-NSynonyms
956926-75-3(6aS6bR9aS10R)10(1Hbenzo(d)(123)triazole1carbonyl)8(4nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aS6bR9aS10R)10(1Hbenzotriazol1ylcarbonyl)8(4nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
956926753
C1=CC=C2C(=C1)C=CC3N2C(C4C3C(=O)N(C4=O)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)N6C7=CC=CC=C7N=N6
InChI=1SC27H18N6O5c3425222114915513719(15)31(21)24(27(36)3220842618(20)282932)23(22)26(35)30(25)16101217(131116)33(37)38h1142124Ht21222324+m0s1
MFCD18242031
O=C1N(c2ccc(cc2)(N+)(=O)(O))C(=O)(C@@H)2(C@H)1(C@@H)(N1(C@H)2C=Cc2c1cccc2)C(=O)n1nnc2c1cccc2
ZINC000100847777
ZINC100847777
Check stock
See real-time availability and sample size for STK542878 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.