Vitas-M small molecule compound
N-(2-chloro-4-fluorobenzyl)-2-{[5-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Catalog ID
STK985709
SMILES CCOc1ccc(cc1)n1c(SCC(=O)NCc2ccc(cc2Cl)F)nc2c(c1=O)cn[nH]2
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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 C22H19ClFN5O3S MW 487.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClFN5O3S/c1-2-32-16-7-5-15(6-8-16)29-21(31)17-11-26-28-20(17)27-22(29)33-12-19(30)25-10-13-3-4-14(24)9-18(13)23/h3-9,11H,2,10,12H2,1H3,(H,25,30)(H,26,28)InChIKey
XZCDDTOJYAPSTG-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NCC4=C(C=C(C=C4)F)Cl
CCOc1ccc(cc1)n1c(SCC(=O)NCc2ccc(cc2Cl)F)nc2c(c1=O)cn(nH)2
InChI=1SC22H19ClFN5O3Sc1232167515(6816)2921(31)1711262820(17)2722(29)331219(30)2510133414(24)918(13)23h3911H21012H21H3(H2530)(H2628)
MFCD18182667
N((2chloro4fluorophenyl)methyl)2((5(4ethoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
N(2chloro4fluorobenzyl)2((5(4ethoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
ZINC000051316547
ZINC51316547
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