Vitas-M small molecule compound
4-(2-hydroxy-6-methoxyquinolin-3-yl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7-ol
Catalog ID
STL314617
SMILES COc1ccc2c(c1)cc(c(n2)O)C1SCC(=Nc2c1cn[nH]2)O
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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/c1-23-9-2-3-12-8(4-9)5-10(16(22)18-12)14-11-6-17-20-15(11)19-13(21)7-24-14/h2-6,14H,7H2,1H3,(H,18,22)(H2,17,19,20,21)InChIKey
YVWIUNUAFZNHHD-UHFFFAOYSA-NSynonyms
1435901-67-91435901679
4(2hydroxy6methoxyquinolin3yl)46dihydro1Hpyrazolo(34e)(14)thiazepin7ol
4(6methoxy2oxo1Hquinolin3yl)24dihydro1Hpyrazolo(34e)(14)thiazepin7one
COC1=CC2=C(C=C1)NC(=O)C(=C2)C3C4=CNNC4=NC(=O)CS3
COc1ccc2c(c1)cc(c(n2)O)C1SCC(=Nc2c1cn(nH)2)O
InChI=1SC16H14N4O3Sc123923128(49)510(16(22)1812)14116172015(11)1913(21)72414h2614H7H21H3(H1822)(H217192021)
MFCD28030815
ZINC000095476460
ZINC000095476461
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