Vitas-M small molecule compound
2-{[5-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Catalog ID
STK985681
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)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 C21H18FN5O3S MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN5O3S/c1-2-30-16-8-6-15(7-9-16)27-20(29)17-11-23-26-19(17)25-21(27)31-12-18(28)24-14-5-3-4-13(22)10-14/h3-11H,2,12H2,1H3,(H,23,26)(H,24,28)InChIKey
BEZSRBZIHWMISD-UHFFFAOYSA-NSynonyms
2((5(4ethoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(3fluorophenyl)acetamide
2((5(4ethoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(3fluorophenyl)acetamide
CCOC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=CC(=CC=C4)F
CCOc1ccc(cc1)n1c(SCC(=O)Nc2cccc(c2)F)nc2c(c1=O)cn(nH)2
InChI=1SC21H18FN5O3Sc1230168615(7916)2720(29)1711232619(17)2521(27)311218(28)241453413(22)1014h311H212H21H3(H2326)(H2428)
MFCD18182640
ZINC000051316487
ZINC51316487
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