Vitas-M small molecule compound
N-(2,5-difluorophenyl)-2-{[5-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Catalog ID
STK985684
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(F)ccc2F)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 C21H17F2N5O3S MW 457.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F2N5O3S/c1-2-31-14-6-4-13(5-7-14)28-20(30)15-10-24-27-19(15)26-21(28)32-11-18(29)25-17-9-12(22)3-8-16(17)23/h3-10H,2,11H2,1H3,(H,24,27)(H,25,29)InChIKey
DYVMWIIBFZWSGJ-UHFFFAOYSA-NSynonyms
CCOC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=C(C=CC(=C4)F)F
CCOc1ccc(cc1)n1c(SCC(=O)Nc2cc(F)ccc2F)nc2c(c1=O)cn(nH)2
InChI=1SC21H17F2N5O3Sc1231146413(5714)2820(30)1510242719(15)2621(28)321118(29)2517912(22)3816(17)23h310H211H21H3(H2427)(H2529)
MFCD18182643
N(25difluorophenyl)2((5(4ethoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
N(25difluorophenyl)2((5(4ethoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)acetamide
ZINC000051316492
ZINC51316492
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