Vitas-M small molecule compound
methyl (8S,8aR,11aS,11bS)-10-(3-bromophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
Catalog ID
STK556738
SMILES COC(=O)[C@@H]1[C@@H]2C(=O)N(C(=O)[C@@H]2[C@@H]2N1C=Cc1c2cccc1)c1cccc(c1)Br
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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 C22H17BrN2O4 MW 453.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN2O4/c1-29-22(28)19-17-16(18-15-8-3-2-5-12(15)9-10-24(18)19)20(26)25(21(17)27)14-7-4-6-13(23)11-14/h2-11,16-19H,1H3/t16-,17+,18+,19-/m0/s1InChIKey
BIPPHLSJYQCISK-MANSERQUSA-NSynonyms
1013785-90-4(8S8aR11aS11bS)methyl10(3bromophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxylate
1013785904
COC(=O)(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2(C@@H)2N1C=Cc1c2cccc1)c1cccc(c1)Br
COC(=O)C1C2C(C3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC(=CC=C5)Br
InChI=1SC22H17BrN2O4c12922(28)191716(1815832512(15)91024(18)19)20(26)25(21(17)27)1474613(23)1114h2111619H1H3t1617+18+19m0s1
methyl(8S8aR11aS11bS)10(3bromophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxylate
MFCD18242963
ZINC000020291733
ZINC20291733
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