Vitas-M small molecule compound
[(1S,2R,3S)-2-(3,4-dimethoxyphenyl)-1-nitro-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazin-3-yl](phenyl)methanone
Catalog ID
STK545789
SMILES COc1cc(ccc1OC)[C@H]1[C@H]([N+](=O)[O-])C2N([C@@H]1C(=O)c1ccccc1)N=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 C26H23N3O5 MW 457.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5/c1-33-20-13-12-17(14-21(20)34-2)22-24(29(31)32)23-19-11-7-6-10-18(19)15-27-28(23)25(22)26(30)16-8-4-3-5-9-16/h3-15,22-25H,1-2H3/t22-,23?,24-,25-/m0/s1InChIKey
GGDLLVHIXFVNHN-MHKFTUFMSA-NSynonyms
956917-63-8((1S2R3S)2(34dimethoxyphenyl)1nitro12310btetrahydropyrrolo(21a)phthalazin3yl)(phenyl)methanone
((1S2R3S)2(34dimethoxyphenyl)1nitro12310btetrahydropyrrolo(21a)phthalazin3yl)phenylmethanone
956917638
COC1=C(C=C(C=C1)C2C(C3C4=CC=CC=C4C=NN3C2C(=O)C5=CC=CC=C5)(N+)(=O)(O))OC
COc1cc(ccc1OC)(C@H)1(C@H)((N+)(=O)(O))C2N((C@@H)1C(=O)c1ccccc1)N=Cc1c2cccc1
InChI=1SC26H23N3O5c13320131217(1421(20)342)2224(29(31)32)231911761018(19)152728(23)25(22)26(30)168435916h3152225H12H3t2223?2425m0s1
MFCD18242240
ZINC000008972041
ZINC000009271987
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