Vitas-M small molecule compound
ethyl [7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl]acetate
Catalog ID
STL315542
SMILES CCOC(=O)Cn1nc(c2c1N=C(O)CSC2c1ccc(c(c1)OC)O)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 C18H21N3O5S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O5S/c1-4-26-15(24)8-21-18-16(10(2)20-21)17(27-9-14(23)19-18)11-5-6-12(22)13(7-11)25-3/h5-7,17,22H,4,8-9H2,1-3H3,(H,19,23)InChIKey
VZMQLFBBORJNIJ-UHFFFAOYSA-NSynonyms
1401592-07-11401592071
ethyl(7hydroxy4(4hydroxy3methoxyphenyl)3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin1yl)acetate
MFCD28027318
ZINC000079473989
ZINC000079473995
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