Vitas-M small molecule compound
N-(5-chloro-2-methoxyphenyl)-10-(2-fluorophenyl)-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
STL347678
SMILES COc1ccc(cc1NC(=O)C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccccc1F)cccc3)Cl
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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/c1-37-21-11-10-16(29)14-19(21)31-26(34)25-23-22(24-17-7-3-2-6-15(17)12-13-32(24)25)27(35)33(28(23)36)20-9-5-4-8-18(20)30/h2-14,22-25H,1H3,(H,31,34)InChIKey
MKKQYJCEOADSAI-UHFFFAOYSA-NSynonyms
(8S8aR11aS)N(5chloro2methoxyphenyl)10(2fluorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
COC1=C(C=C(C=C1)Cl)NC(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC=CC=C6F
COc1ccc(cc1NC(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccccc1F)cccc3)Cl
InChI=1SC28H21ClFN3O4c13721111016(29)1419(21)3126(34)252322(2417732615(17)121332(24)25)27(35)33(28(23)36)20954818(20)30h2142225H1H3(H3134)
MFCD28032273
N(5chloro2methoxyphenyl)10(2fluorophenyl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carboxamide
ZINC000016000967
ZINC000245311103
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