Vitas-M small molecule compound
4-(3-chloro-4-fluorophenyl)-7-hydroxy-1-(tetrahydro-2H-pyran-4-yl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL411047
SMILES OC1=Nc2c(C(SC1)c1ccc(c(c1)Cl)F)c(=O)[nH]n2C1CCOCC1
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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 C17H17ClFN3O3S MW 397.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClFN3O3S/c18-11-7-9(1-2-12(11)19)15-14-16(20-13(23)8-26-15)22(21-17(14)24)10-3-5-25-6-4-10/h1-2,7,10,15H,3-6,8H2,(H,20,23)(H,21,24)InChIKey
IHPGZVFAECKMRP-UHFFFAOYSA-NSynonyms
1574466-52-61574466526
4(3chloro4fluorophenyl)1(oxan4yl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(3chloro4fluorophenyl)7hydroxy1(tetrahydro2Hpyran4yl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1COCCC1N2C3=C(C(SCC(=O)N3)C4=CC(=C(C=C4)F)Cl)C(=O)N2
InChI=1SC17H17ClFN3O3Sc181179(1212(11)19)151416(2013(23)82615)22(2117(14)24)1035256410h1271015H368H2(H2023)(H2124)
MFCD30706506
OC1=Nc2c(C(SC1)c1ccc(c(c1)Cl)F)c(=O)(nH)n2C1CCOCC1
ZINC000096117266
ZINC000096117267
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