Vitas-M small molecule compound
7-hydroxy-4-(1-methyl-1H-pyrazol-4-yl)-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL408201
SMILES OC1=Nc2c(C(SC1)c1cnn(c1)C)c(=O)[nH]n2C1CCSCC1
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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 C15H19N5O2S2 MW 365.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N5O2S2/c1-19-7-9(6-16-19)13-12-14(17-11(21)8-24-13)20(18-15(12)22)10-2-4-23-5-3-10/h6-7,10,13H,2-5,8H2,1H3,(H,17,21)(H,18,22)InChIKey
CUMRILQDLRMOIB-UHFFFAOYSA-NSynonyms
1574377-67-51574377675
4(1methylpyrazol4yl)1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(1methyl1Hpyrazol4yl)1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
CN1C=C(C=N1)C2C3=C(NC(=O)CS2)N(NC3=O)C4CCSCC4
InChI=1SC15H19N5O2S2c11979(61619)131214(1711(21)82413)20(1815(12)22)1024235310h671013H258H21H3(H1721)(H1822)
MFCD30705110
OC1=Nc2c(C(SC1)c1cnn(c1)C)c(=O)(nH)n2C1CCSCC1
ZINC000096116796
ZINC000096116797
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