Vitas-M small molecule compound
methyl 4-(7-hydroxy-1,3-dimethyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate
Catalog ID
STL161037
SMILES COC(=O)c1ccc(cc1)C1SCC(=Nc2c1c(C)nn2C)O
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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 C16H17N3O3S MW 331.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O3S/c1-9-13-14(10-4-6-11(7-5-10)16(21)22-3)23-8-12(20)17-15(13)19(2)18-9/h4-7,14H,8H2,1-3H3,(H,17,20)InChIKey
USPCDKPJLWMRAP-UHFFFAOYSA-NSynonyms
1246052-45-81246052458
methyl4(7hydroxy13dimethyl46dihydro1Hpyrazolo(34e)(14)thiazepin4yl)benzoate
MFCD20759236
ZINC000049546587
ZINC000049546588
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