Vitas-M small molecule compound
7-hydroxy-4-(pyridin-3-yl)-1-(tetrahydro-2H-thiopyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL408264
SMILES OC1=Nc2c(C(SC1)c1cccnc1)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 C16H18N4O2S2 MW 362.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O2S2/c21-12-9-24-14(10-2-1-5-17-8-10)13-15(18-12)20(19-16(13)22)11-3-6-23-7-4-11/h1-2,5,8,11,14H,3-4,6-7,9H2,(H,18,21)(H,19,22)InChIKey
AMOHRZBMNFDJRW-UHFFFAOYSA-NSynonyms
1574378-93-01574378930
4pyridin3yl1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
7hydroxy4(pyridin3yl)1(tetrahydro2Hthiopyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CSCCC1N2C3=C(C(SCC(=O)N3)C4=CN=CC=C4)C(=O)N2
InChI=1SC16H18N4O2S2c211292414(1021517810)1315(1812)20(1916(13)22)1136237411h12581114H34679H2(H1821)(H1922)
MFCD30705137
OC1=Nc2c(C(SC1)c1cccnc1)c(=O)(nH)n2C1CCSCC1
ZINC000096118079
ZINC000096118080
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