Vitas-M small molecule compound

(3E)-4-(morpholin-4-yl)-2,4-dioxo-3-(2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidene)butanamide

Catalog ID
STK776411
SMILES NC(=O)C(=O)/C(=C/1\NC2(CCCC2)Cc2c1cccc2)/C(=O)N1CCOCC1

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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 C21H25N3O4 MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4/c22-19(26)18(25)16(20(27)24-9-11-28-12-10-24)17-15-6-2-1-5-14(15)13-21(23-17)7-3-4-8-21/h1-2,5-6,23H,3-4,7-13H2,(H2,22,26)/b17-16+
InChIKey
XGYXLBDKBVMMCR-WUKNDPDISA-N
Synonyms

(3E)4(morpholin4yl)24dioxo3(2Hspiro(cyclopentane13isoquinolin)1(4H)ylidene)butanamide
(3E)4MORPHOLIN4YL24DIOXO3SPIRO(24DIHYDROISOQUINOLINE31CYCLOPENTANE)1YLIDENEBUTANAMIDE
C1CCC2(C1)CC3=CC=CC=C3C(=C(C(=O)C(=O)N)C(=O)N4CCOCC4)N2
InChI=1SC21H25N3O4c2219(26)18(25)16(20(27)2491128121024)1715621514(15)1321(2317)734821h125623H34713H2(H22226)b1716+
MFCD05258981
NC(=O)C(=O)C(=C1NC2(CCCC2)Cc2c1cccc2)C(=O)N1CCOCC1
ZINC000004689577
ZINC04689577
ZINC4689577

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Available files

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