Vitas-M small molecule compound

ethyl [4-(4-cyanophenyl)-7-hydroxy-3-methyl-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl]acetate

Catalog ID
STL310744
SMILES CCOC(=O)Cn1nc(c2c1N=C(O)CSC2c1ccc(cc1)C#N)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 C18H18N4O3S MW 370.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O3S/c1-3-25-15(24)9-22-18-16(11(2)21-22)17(26-10-14(23)20-18)13-6-4-12(8-19)5-7-13/h4-7,17H,3,9-10H2,1-2H3,(H,20,23)
InChIKey
TWCCBOWEGVZBDV-UHFFFAOYSA-N
Synonyms
1401602-52-5
1401602525
ethyl(4(4cyanophenyl)7hydroxy3methyl46dihydro1Hpyrazolo(34e)(14)thiazepin1yl)acetate
MFCD28025703
ZINC000079480903
ZINC000079480908

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.