Vitas-M small molecule compound

2-[1-(1,1-dioxidotetrahydrothiophen-3-yl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]-N-(4-fluorobenzyl)acetamide

Catalog ID
STL280159
SMILES O=C(Cn1cnc2c(c1=O)cnn2C1CCS(=O)(=O)C1)NCc1ccc(cc1)F

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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 C18H18FN5O4S MW 419.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18FN5O4S/c19-13-3-1-12(2-4-13)7-20-16(25)9-23-11-21-17-15(18(23)26)8-22-24(17)14-5-6-29(27,28)10-14/h1-4,8,11,14H,5-7,9-10H2,(H,20,25)
InChIKey
OBFUPPUWEYZLPP-UHFFFAOYSA-N
Synonyms
1040645-78-0
1040645780
2(1(11dioxidotetrahydrothiophen3yl)4oxo14dihydro5Hpyrazolo(34d)pyrimidin5yl)N(4fluorobenzyl)acetamide
2(1(11DIOXIDOTETRAHYDROTHIOPHEN3YL)4OXO1HPYRAZOLO(34D)PYRIMIDIN5(4H)YL)N(4FLUOROBENZYL)ACETAMIDE
2(1(11dioxothiolan3yl)4oxopyrazolo(34d)pyrimidin5yl)N((4fluorophenyl)methyl)acetamide
C1CS(=O)(=O)CC1N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NCC4=CC=C(C=C4)F
InChI=1SC18H18FN5O4Sc19133112(2413)72016(25)92311211715(18(23)26)82224(17)145629(2728)1014h1481114H57910H2(H2025)
MFCD12009869
ZINC000016849750
ZINC000016849752

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Available files

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