Vitas-M small molecule compound
10-(2,3-dihydro-1,4-benzodioxin-6-yl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carbonitrile
Catalog ID
STL345571
SMILES N#CC1C2C(=O)N(C(=O)C2C2N1C=Cc1c2cccc1)c1ccc2c(c1)OCCO2
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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/c24-12-16-19-20(21-15-4-2-1-3-13(15)7-8-25(16)21)23(28)26(22(19)27)14-5-6-17-18(11-14)30-10-9-29-17/h1-8,11,16,19-21H,9-10H2InChIKey
WPODMFNWOAQUAS-UHFFFAOYSA-NSynonyms
(8S8aR11aS)10(23dihydrobenzo(b)(14)dioxin6yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonitrile
10(23dihydro14benzodioxin6yl)911dioxo8a9101111a11bhexahydro8Hpyrrolo(3434)pyrrolo(21a)isoquinoline8carbonitrile
C1COC2=C(O1)C=CC(=C2)N3C(=O)C4C(N5C=CC6=CC=CC=C6C5C4C3=O)C#N
InChI=1SC23H17N3O4c2412161920(2115421313(15)7825(16)21)23(28)26(22(19)27)14561718(1114)301092917h1811161921H910H2
MFCD07211357
N#C(C@@H)1(C@@H)2C(=O)N(C(=O)(C@@H)2C2N1C=Cc1c2cccc1)c1ccc2c(c1)OCCO2
ZINC000013777122
ZINC000245312631
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