Vitas-M small molecule compound

4-{8-[(3,4-dimethoxyphenyl)carbonyl]-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl}benzamide

Catalog ID
STL236441
SMILES COc1ccc(cc1OC)C(=O)C1N2C=Cc3c(C2C2C1C(=O)N(C2=O)c1ccc(cc1)C(=O)N)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 C30H25N3O6 MW 523.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O6/c1-38-21-12-9-18(15-22(21)39-2)27(34)26-24-23(25-20-6-4-3-5-16(20)13-14-32(25)26)29(36)33(30(24)37)19-10-7-17(8-11-19)28(31)35/h3-15,23-26H,1-2H3,(H2,31,35)
InChIKey
ZYMWPZDACIINEO-UHFFFAOYSA-N
Synonyms

4((8S8aR11aS)8(34dimethoxybenzoyl)911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)benzamide
4(8((34dimethoxyphenyl)carbonyl)911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)benzamide
COC1=C(C=C(C=C1)C(=O)C2C3C(C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC=C(C=C6)C(=O)N)OC
COc1ccc(cc1OC)C(=O)(C@H)1N2C=Cc3c(C2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)C(=O)N)cccc3
InChI=1SC30H25N3O6c1382112918(1522(21)392)27(34)262423(2520643516(20)131432(25)26)29(36)33(30(24)37)1910717(81119)28(31)35h3152326H12H3(H23135)
MFCD24858640
ZINC000015989869
ZINC000247946769

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Available files

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