Vitas-M small molecule compound
ethyl [7-hydroxy-3-methyl-4-(2,3,4-trifluorophenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl]acetate
Catalog ID
STL309554
SMILES CCOC(=O)Cn1nc(c2c1N=C(O)CSC2c1ccc(c(c1F)F)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 C17H16F3N3O3S MW 399.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F3N3O3S/c1-3-26-12(25)6-23-17-13(8(2)22-23)16(27-7-11(24)21-17)9-4-5-10(18)15(20)14(9)19/h4-5,16H,3,6-7H2,1-2H3,(H,21,24)InChIKey
NNPAAEBNYYAMML-UHFFFAOYSA-NSynonyms
1401576-54-21401576542
ethyl(7hydroxy3methyl4(234trifluorophenyl)46dihydro1Hpyrazolo(34e)(14)thiazepin1yl)acetate
MFCD28028994
ZINC000079481094
ZINC000079481099
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