Vitas-M small molecule compound
8-[(3-bromo-4-methoxyphenyl)carbonyl]-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL042841
SMILES COc1ccc(cc1Br)C(=O)C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)cccc3
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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 C30H23BrN2O6 MW 587.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23BrN2O6/c1-37-21-8-6-17(14-20(21)31)28(34)27-25-24(26-19-5-3-2-4-16(19)10-11-32(26)27)29(35)33(30(25)36)18-7-9-22-23(15-18)39-13-12-38-22/h2-11,14-15,24-27H,12-13H2,1H3InChIKey
UJUIGLRGHINTOY-UHFFFAOYSA-NSynonyms
(8R8aS11aR11bR)8(3bromo4methoxybenzoyl)10(23dihydrobenzo(b)(14)dioxin6yl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
8((3bromo4methoxyphenyl)carbonyl)10(23dihydro14benzodioxin6yl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
COC1=C(C=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC7=C(C=C6)OCCO7)Br
COc1ccc(cc1Br)C(=O)(C@@H)1N2C=Cc3c((C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc2c(c1)OCCO2)cccc3
InChI=1SC30H23BrN2O6c137218617(1420(21)31)28(34)272524(2619532416(19)101132(26)27)29(35)33(30(25)36)18792223(1518)3913123822h21114152427H1213H21H3
MFCD05729742
ZINC000102871332
ZINC000245247517
Check stock
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Check stock on Vitas-MAvailable files
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