Vitas-M small molecule compound
4-(8-cyano-9,11-dioxo-8a,9,11a,11b-tetrahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-10(11H)-yl)phenyl acetate
Catalog ID
STL346206
SMILES N#CC1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)c1ccc(cc1)OC(=O)C
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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 C23H17N3O4 MW 399.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O4/c1-13(27)30-16-8-6-15(7-9-16)26-22(28)19-18(12-24)25-11-10-14-4-2-3-5-17(14)21(25)20(19)23(26)29/h2-11,18-21H,1H3InChIKey
JDGYWSRGMRECGK-UHFFFAOYSA-NSynonyms
4((8S8aR11aS)8cyano911dioxo8a91111atetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11bH)yl)phenylacetate
4(8cyano911dioxo8a911a11btetrahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinolin10(11H)yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C(N4C=CC5=CC=CC=C5C4C3C2=O)C#N
InChI=1SC23H17N3O4c113(27)30168615(7916)2622(28)1918(1224)25111014423517(14)21(25)20(19)23(26)29h2111821H1H3
MFCD28032194
N#C(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1ccc(cc1)OC(=O)C
ZINC000015999153
ZINC000245310415
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