Vitas-M small molecule compound

3-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-2-sulfanyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

Catalog ID
STK305473
SMILES Fc1cccc(c1Cn1ccc(n1)n1c(S)nc2c(c1=O)c1CCCCCc1s2)Cl

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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 C21H18ClFN4OS2 MW 460.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClFN4OS2/c22-14-6-4-7-15(23)13(14)11-26-10-9-17(25-26)27-20(28)18-12-5-2-1-3-8-16(12)30-19(18)24-21(27)29/h4,6-7,9-10H,1-3,5,8,11H2,(H,24,29)
InChIKey
LSUNKKYDTQPUGV-UHFFFAOYSA-N
Synonyms

3(1((2chloro6fluorophenyl)methyl)pyrazol3yl)2sulfanylidene156789hexahydrocyclohepta(23)thieno(24b)pyrimidin4one
3(1(2chloro6fluorobenzyl)1Hpyrazol3yl)2sulfanyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
C1CCC2=C(CC1)SC3=C2C(=O)N(C(=S)N3)C4=NN(C=C4)CC5=C(C=CC=C5Cl)F
InChI=1SC21H18ClFN4OS2c221464715(23)13(14)112610917(2526)2720(28)18125213816(12)3019(18)2421(27)29h467910H135811H2(H2429)
MFCD03945458
ZINC000002786364
ZINC02786364
ZINC2786364

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Available files

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