Vitas-M small molecule compound
10-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Catalog ID
STL348102
SMILES COc1ccc(cc1)NC(=O)C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)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 C28H21ClFN3O4 MW 517.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClFN3O4/c1-37-18-9-6-16(7-10-18)31-26(34)25-23-22(24-19-5-3-2-4-15(19)12-13-32(24)25)27(35)33(28(23)36)17-8-11-21(30)20(29)14-17/h2-14,22-25H,1H3,(H,31,34)InChIKey
KDRKSHRNDJYHBD-UHFFFAOYSA-NSynonyms
(8S8aR11aS)10(3chloro4fluorophenyl)N(4methoxyphenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
10(3chloro4fluorophenyl)N(4methoxyphenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
COC1=CC=C(C=C1)NC(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC(=C(C=C6)F)Cl
COc1ccc(cc1)NC(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(c(c1)Cl)F)cccc3
InChI=1SC28H21ClFN3O4c137189616(71018)3126(34)252322(2419532415(19)121332(24)25)27(35)33(28(23)36)1781121(30)20(29)1417h2142225H1H3(H3134)
MFCD28032550
ZINC000016001416
ZINC000245310717
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