Vitas-M small molecule compound
(8S,8aR,11aS,11bS)-8-(2,2-dimethylpropanoyl)-10-(4-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STK549540
SMILES O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@H](N1[C@@H]2c2ccccc2C=C1)C(=O)C(C)(C)C
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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 C25H23N3O5 MW 445.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5/c1-25(2,3)22(29)21-19-18(20-17-7-5-4-6-14(17)12-13-26(20)21)23(30)27(24(19)31)15-8-10-16(11-9-15)28(32)33/h4-13,18-21H,1-3H3/t18-,19+,20+,21-/m0/s1InChIKey
AVKPDODUWHDKSE-BQJUDKOJSA-NSynonyms
1013747-51-7(8S8aR11aS11bS)10(4nitrophenyl)8pivaloyl11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
(8S8aR11aS11bS)8(22dimethylpropanoyl)10(4nitrophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
1013747517
CC(C)(C)C(=O)C1C2C(C3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC25H23N3O5c125(23)22(29)211918(2017754614(17)121326(20)21)23(30)27(24(19)31)1581016(11915)28(32)33h4131821H13H3t1819+20+21m0s1
MFCD18242471
O=C1N(c2ccc(cc2)(N+)(=O)(O))C(=O)(C@H)2(C@@H)1(C@H)(N1(C@@H)2c2ccccc2C=C1)C(=O)C(C)(C)C
ZINC000027373319
ZINC27373319
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.