Vitas-M small molecule compound
N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-6-hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
Catalog ID
STL046907
SMILES CCc1n[nH]/c(=N\C(=O)c2c(O)c3cccc4c3n(c2=O)CC4)/s1
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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 C16H14N4O3S MW 342.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N4O3S/c1-2-10-18-19-16(24-10)17-14(22)11-13(21)9-5-3-4-8-6-7-20(12(8)9)15(11)23/h3-5,21H,2,6-7H2,1H3,(H,17,19,22)InChIKey
NPSVKKJBKRZBLE-UHFFFAOYSA-NSynonyms
385388-32-9385388329
6HYDROXY4OXO12DIHYDRO4HPYRROLO(321IJ)QUINOLINE5CARBOXYLICACID(5ETHYL(134)THIADIAZOL2YL)AMIDE
CCC1=NN=C(S1)NC(=O)C2=C(C3=C4C(=CC=C3)CCN4C2=O)O
CCc1n(nH)c(=NC(=O)c2c(O)c3cccc4c3n(c2=O)CC4)s1
InChI=1SC16H14N4O3Sc1210181916(2410)1714(22)1113(21)953486720(12(8)9)15(11)23h3521H267H21H3(H171922)
MFCD03796596
N((2E)5ethyl134thiadiazol2(3H)ylidene)6hydroxy4oxo12dihydro4Hpyrrolo(321ij)quinoline5carboxamide
ZINC000100621330
ZINC100621330
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