Vitas-M small molecule compound
ethyl [4-(2-chloro-6-fluorophenyl)-7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl]acetate
Catalog ID
STL310041
SMILES CCOC(=O)Cn1nc(c2c1N=C(O)CSC2c1c(F)cccc1Cl)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 C17H17ClFN3O3S MW 397.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClFN3O3S/c1-3-25-13(24)7-22-17-14(9(2)21-22)16(26-8-12(23)20-17)15-10(18)5-4-6-11(15)19/h4-6,16H,3,7-8H2,1-2H3,(H,20,23)InChIKey
POHPLPIYYWWQRF-UHFFFAOYSA-NSynonyms
1401598-90-01401598900
ethyl(4(2chloro6fluorophenyl)7hydroxy3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin1yl)acetate
MFCD28025290
ZINC000079482386
ZINC000079482389
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