Vitas-M small molecule compound
2-{3-[7-hydroxy-3-oxo-1-(tetrahydro-2H-thiopyran-4-yl)-2,3,4,6-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide
Catalog ID
STL409158
SMILES NC(=O)COc1cccc(c1)C1SCC(=Nc2c1c(=O)[nH]n2C1CCSCC1)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 C19H22N4O4S2 MW 434.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O4S2/c20-14(24)9-27-13-3-1-2-11(8-13)17-16-18(21-15(25)10-29-17)23(22-19(16)26)12-4-6-28-7-5-12/h1-3,8,12,17H,4-7,9-10H2,(H2,20,24)(H,21,25)(H,22,26)InChIKey
KRKBFVXUAOSSFV-UHFFFAOYSA-NSynonyms
1574302-72-91574302729
2(3(37dioxo1(thian4yl)48dihydro2Hpyrazolo(34e)(14)thiazepin4yl)phenoxy)acetamide
2(3(7hydroxy3oxo1(tetrahydro2Hthiopyran4yl)2346tetrahydro1Hpyrazolo(34e)(14)thiazepin4yl)phenoxy)acetamide
C1CSCCC1N2C3=C(C(SCC(=O)N3)C4=CC(=CC=C4)OCC(=O)N)C(=O)N2
InChI=1SC19H22N4O4S2c2014(24)9271331211(813)171618(2115(25)102917)23(2219(16)26)1246287512h1381217H47910H2(H22024)(H2125)(H2226)
MFCD30705569
NC(=O)COc1cccc(c1)C1SCC(=Nc2c1c(=O)(nH)n2C1CCSCC1)O
ZINC000096230970
ZINC000096230971
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