Vitas-M small molecule compound
4-(2-chloro-6-fluorophenyl)-1-cyclopentyl-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL315252
SMILES OC1=Nc2n([nH]c(=O)c2C(SC1)c1c(F)cccc1Cl)C1CCCC1
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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 C17H17ClFN3O2S MW 381.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClFN3O2S/c18-10-6-3-7-11(19)13(10)15-14-16(20-12(23)8-25-15)22(21-17(14)24)9-4-1-2-5-9/h3,6-7,9,15H,1-2,4-5,8H2,(H,20,23)(H,21,24)InChIKey
MLUAPDUTRSPRKE-UHFFFAOYSA-NSynonyms
1435980-50-91435980509
4(2chloro6fluorophenyl)1cyclopentyl48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
4(2chloro6fluorophenyl)1cyclopentyl7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CCC(C1)N2C3=C(C(SCC(=O)N3)C4=C(C=CC=C4Cl)F)C(=O)N2
InChI=1SC17H17ClFN3O2Sc181063711(19)13(10)151416(2012(23)82515)22(2117(14)24)941259h367915H12458H2(H2023)(H2124)
MFCD28027146
OC1=Nc2n((nH)c(=O)c2C(SC1)c1c(F)cccc1Cl)C1CCCC1
ZINC000095476930
ZINC000095476931
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