Vitas-M small molecule compound
8-[(3,4-dimethoxyphenyl)carbonyl]-10-(4-fluorophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Catalog ID
STL240404
SMILES COc1ccc(cc1OC)C(=O)C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc(cc1)F)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 C29H23FN2O5 MW 498.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23FN2O5/c1-36-21-12-7-17(15-22(21)37-2)27(33)26-24-23(25-20-6-4-3-5-16(20)13-14-31(25)26)28(34)32(29(24)35)19-10-8-18(30)9-11-19/h3-15,23-26H,1-2H3InChIKey
IJNJJXJJBDJGHF-UHFFFAOYSA-NSynonyms
(8S8aR11aS)8(34dimethoxybenzoyl)10(4fluorophenyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
8((34dimethoxyphenyl)carbonyl)10(4fluorophenyl)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=CC=C(C=C6)F)OC
COc1ccc(cc1OC)C(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)F)cccc3
InChI=1SC29H23FN2O5c1362112717(1522(21)372)27(33)262423(2520643516(20)131431(25)26)28(34)32(29(24)35)1910818(30)91119h3152326H12H3
MFCD07203516
ZINC000015998816
ZINC000247906963
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