Vitas-M small molecule compound
ethyl [4-(1,3-benzodioxol-5-yl)-7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl]acetate
Catalog ID
STL316608
SMILES CCOC(=O)Cn1nc(c2c1N=C(O)CSC2c1ccc2c(c1)OCO2)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 C18H19N3O5S MW 389.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O5S/c1-3-24-15(23)7-21-18-16(10(2)20-21)17(27-8-14(22)19-18)11-4-5-12-13(6-11)26-9-25-12/h4-6,17H,3,7-9H2,1-2H3,(H,19,22)InChIKey
KYTVEJBZKREBIU-UHFFFAOYSA-NSynonyms
1401543-47-21401543472
ethyl(4(13benzodioxol5yl)7hydroxy3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin1yl)acetate
MFCD28027910
ZINC000079494600
ZINC000079494603
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