Vitas-M small molecule compound
1-(butan-2-yl)-4-(4-fluorophenyl)-7-hydroxy-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL038185
SMILES CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)F)C
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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 C16H18FN3O2S MW 335.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18FN3O2S/c1-3-9(2)20-15-13(16(22)19-20)14(23-8-12(21)18-15)10-4-6-11(17)7-5-10/h4-7,9,14H,3,8H2,1-2H3,(H,18,21)(H,19,22)InChIKey
DPJBQLZWZOXUEU-UHFFFAOYSA-NSynonyms
672913-64-31(butan2yl)4(4fluorophenyl)7hydroxy1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
672913643
CCC(n1(nH)c(=O)c2c1N=C(O)CSC2c1ccc(cc1)F)C
MFCD04075534
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