Vitas-M small molecule compound

10-(1,3-benzodioxol-5-yl)-8-[(2,4-dichlorophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione

Catalog ID
STL237860
SMILES Clc1ccc(c(c1)Cl)C(=O)C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc2c(c1)OCO2)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 C28H18Cl2N2O5 MW 533.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18Cl2N2O5/c29-15-5-7-18(19(30)11-15)26(33)25-23-22(24-17-4-2-1-3-14(17)9-10-31(24)25)27(34)32(28(23)35)16-6-8-20-21(12-16)37-13-36-20/h1-12,22-25H,13H2
InChIKey
RLOSWFLUSQAAAE-UHFFFAOYSA-N
Synonyms

(8S8aR11aS)10(benzo(d)(13)dioxol5yl)8(24dichlorobenzoyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
10(13benzodioxol5yl)8((24dichlorophenyl)carbonyl)11a11bdihydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline911(8aH10H)dione
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C(C3=O)C(N5C4C6=CC=CC=C6C=C5)C(=O)C7=C(C=C(C=C7)Cl)Cl
Clc1ccc(c(c1)Cl)C(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2)cccc3
InChI=1SC28H18Cl2N2O5c29155718(19(30)1115)26(33)252322(2417421314(17)91031(24)25)27(34)32(28(23)35)16682021(1216)37133620h1122225H13H2
MFCD07212695
ZINC000101160042
ZINC000247749608

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Available files

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