Vitas-M small molecule compound
4-(phenylcarbonyl)phenyl (6aS,6bR,9aS,10R)-8-(3-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxylate
Catalog ID
STL054563
SMILES O=C([C@H]1[C@@H]2[C@H]([C@H]3N1c1ccccc1C=C3)C(=O)N(C2=O)c1cccc(c1)[N+](=O)[O-])Oc1ccc(cc1)C(=O)c1ccccc1
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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 C34H23N3O7 MW 585.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H23N3O7/c38-31(21-8-2-1-3-9-21)22-13-16-25(17-14-22)44-34(41)30-29-28(27-18-15-20-7-4-5-12-26(20)36(27)30)32(39)35(33(29)40)23-10-6-11-24(19-23)37(42)43/h1-19,27-30H/t27-,28-,29-,30+/m0/s1InChIKey
PDTKWHWUXPKTSO-GCXHJFECSA-NSynonyms
(6aS6bR9aS10R)4benzoylphenyl8(3nitrophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
4(phenylcarbonyl)phenyl(6aS6bR9aS10R)8(3nitrophenyl)79dioxo6b7899a10hexahydro6aHpyrrolo(3434)pyrrolo(12a)quinoline10carboxylate
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC(=O)C3C4C(C5N3C6=CC=CC=C6C=C5)C(=O)N(C4=O)C7=CC(=CC=C7)(N+)(=O)(O)
InChI=1SC34H23N3O7c3831(218213921)22131625(171422)4434(41)302928(271815207451226(20)36(27)30)32(39)35(33(29)40)231061124(1923)37(42)43h1192730Ht27282930+m0s1
MFCD18249612
O=C((C@H)1(C@@H)2(C@H)((C@H)3N1c1ccccc1C=C3)C(=O)N(C2=O)c1cccc(c1)(N+)(=O)(O))Oc1ccc(cc1)C(=O)c1ccccc1
ZINC000102893233
ZINC102893233
Check stock
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Check stock on Vitas-MAvailable files
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