Vitas-M small molecule compound
(4-chlorophenyl)[2-(3,4-dimethoxyphenyl)-3-nitro-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinolin-1-yl]methanone
Catalog ID
STL333849
SMILES COc1ccc(cc1OC)C1C(C(=O)c2ccc(cc2)Cl)N2C(C1[N+](=O)[O-])C=Cc1c2cccc1
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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 C27H23ClN2O5 MW 490.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O5/c1-34-22-14-10-18(15-23(22)35-2)24-25(30(32)33)21-13-9-16-5-3-4-6-20(16)29(21)26(24)27(31)17-7-11-19(28)12-8-17/h3-15,21,24-26H,1-2H3InChIKey
QDIXKEGDBTYJGN-UHFFFAOYSA-NSynonyms
(4chlorophenyl)((1R2S3R3aR)2(34dimethoxyphenyl)3nitro1233atetrahydropyrrolo(12a)quinolin1yl)methanone
(4chlorophenyl)(2(34dimethoxyphenyl)3nitro1233atetrahydropyrrolo(12a)quinolin1yl)methanone
COC1=C(C=C(C=C1)C2C(C3C=CC4=CC=CC=C4N3C2C(=O)C5=CC=C(C=C5)Cl)(N+)(=O)(O))OC
COc1ccc(cc1OC)(C@H)1(C@H)(C(=O)c2ccc(cc2)Cl)N2(C@@H)((C@@H)1(N+)(=O)(O))C=Cc1c2cccc1
COc1ccc(cc1OC)C1C(C(=O)c2ccc(cc2)Cl)N2C(C1(N+)(=O)(O))C=Cc1c2cccc1
InChI=1SC27H23ClN2O5c13422141018(1523(22)352)2425(30(32)33)2113916534620(16)29(21)26(24)27(31)1771119(28)12817h315212426H12H3
MFCD07794899
ZINC000016037207
ZINC000245311681
Check stock
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Check stock on Vitas-MAvailable files
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