Vitas-M small molecule compound

(6aR,6bS,9aR,10S)-10-[(4-bromophenyl)carbonyl]-8-(2-methyl-5-nitrophenyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione

Catalog ID
STK538956
SMILES Brc1ccc(cc1)C(=O)[C@H]1N2[C@@H]([C@@H]3[C@H]1C(=O)N(C3=O)c1cc(ccc1C)[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 C28H20BrN3O5 MW 558.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20BrN3O5/c1-15-6-12-19(32(36)37)14-22(15)31-27(34)23-21-13-9-16-4-2-3-5-20(16)30(21)25(24(23)28(31)35)26(33)17-7-10-18(29)11-8-17/h2-14,21,23-25H,1H3/t21-,23-,24-,25+/m1/s1
InChIKey
DETZSMXXXYDDKV-DFXJHMEVSA-N
Synonyms

(6aR6bS9aR10S)10((4bromophenyl)carbonyl)8(2methyl5nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
(6aR6bS9aR10S)10(4bromobenzoyl)8(2methyl5nitrophenyl)9a10dihydro6aHpyrrolo(3434)pyrrolo(12a)quinoline79(6bH8H)dione
Brc1ccc(cc1)C(=O)(C@H)1N2(C@@H)((C@@H)3(C@H)1C(=O)N(C3=O)c1cc(ccc1C)(N+)(=O)(O))C=Cc1c2cccc1
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4C=CC5=CC=CC=C5N4C(C3C2=O)C(=O)C6=CC=C(C=C6)Br
InChI=1SC28H20BrN3O5c11561219(32(36)37)1422(15)3127(34)232113916423520(16)30(21)25(24(23)28(31)35)26(33)1771018(29)11817h214212325H1H3t21232425+m1s1
MFCD18241730
ZINC000101064486
ZINC101064486

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Available files

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