Vitas-M small molecule compound
1-cyclopentyl-4-(2,4-difluorophenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL309542
SMILES Fc1ccc(c(c1)F)C1SCC(=Nc2c1c(=O)[nH]n2C1CCCC1)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 C17H17F2N3O2S MW 365.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F2N3O2S/c18-9-5-6-11(12(19)7-9)15-14-16(20-13(23)8-25-15)22(21-17(14)24)10-3-1-2-4-10/h5-7,10,15H,1-4,8H2,(H,20,23)(H,21,24)InChIKey
LKRNTEVCRCRZCO-UHFFFAOYSA-NSynonyms
1435996-31-81435996318
1cyclopentyl4(24difluorophenyl)48dihydro2Hpyrazolo(34e)(14)thiazepine37dione
1cyclopentyl4(24difluorophenyl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
C1CCC(C1)N2C3=C(C(SCC(=O)N3)C4=C(C=C(C=C4)F)F)C(=O)N2
Fc1ccc(c(c1)F)C1SCC(=Nc2c1c(=O)(nH)n2C1CCCC1)O
InChI=1SC17H17F2N3O2Sc1895611(12(19)79)151416(2013(23)82515)22(2117(14)24)10312410h571015H148H2(H2023)(H2124)
MFCD28028985
ZINC000095472672
ZINC000095472673
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