Vitas-M small molecule compound
6-hydroxy-4-oxo-N-[(2E)-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2(3H)-ylidene]-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Catalog ID
STK560761
SMILES O=C(c1c(O)c2cccc3c2n(c1=O)CC3)/N=c\1/scc([nH]1)C12CC3CC(C2)CC(C1)C3
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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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c29-21-17-3-1-2-16-4-5-28(20(16)17)23(31)19(21)22(30)27-24-26-18(12-32-24)25-9-13-6-14(10-25)8-15(7-13)11-25/h1-3,12-15,29H,4-11H2,(H,26,27,30)InChIKey
PATYZDYDARAFJE-UHFFFAOYSA-NSynonyms
459795-74-5459795745
6hydroxy4oxoN((2E)4(tricyclo(3311~37~)dec1yl)13thiazol2(3H)ylidene)12dihydro4Hpyrrolo(321ij)quinoline5carboxamide
C1CN2C3=C(C=CC=C31)C(=C(C2=O)C(=O)NC4=NC(=CS4)C56CC7CC(C5)CC(C7)C6)O
InChI=1SC25H25N3O3Sc292117312164528(20(16)17)23(31)19(21)22(30)27242618(123224)25913614(1025)815(713)1125h13121529H411H2(H262730)
MFCD03809749
O=C(c1c(O)c2cccc3c2n(c1=O)CC3)N=c1scc((nH)1)C12CC3CC(C2)CC(C1)C3
ZINC000100621325
ZINC100621325
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