Vitas-M small molecule compound
1-cyclopentyl-4-(2-fluorophenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL312873
SMILES OC1=Nc2c(C(SC1)c1ccccc1F)c(=O)[nH]n2C1CCCC1
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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 C17H18FN3O2S MW 347.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18FN3O2S/c18-12-8-4-3-7-11(12)15-14-16(19-13(22)9-24-15)21(20-17(14)23)10-5-1-2-6-10/h3-4,7-8,10,15H,1-2,5-6,9H2,(H,19,22)(H,20,23)InChIKey
IXKKEXXJVNZFMT-UHFFFAOYSA-NSynonyms
1435982-51-61435982516
1cyclopentyl4(2fluorophenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclopentyl4(2fluorophenyl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CCC(C1)N2C3=C(C(SCC(=O)N3)C4=CC=CC=C4F)C(=O)N2
InChI=1SC17H18FN3O2Sc1812843711(12)151416(1913(22)92415)21(2017(14)23)10512610h34781015H12569H2(H1922)(H2023)
MFCD28029779
OC1=Nc2c(C(SC1)c1ccccc1F)c(=O)(nH)n2C1CCCC1
ZINC000095475104
ZINC000095475105
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