Vitas-M small molecule compound
2-{[5-(3-chloro-4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,5-difluorophenyl)acetamide
Catalog ID
STK985741
SMILES COc1ccc(cc1Cl)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 C20H14ClF2N5O3S MW 477.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClF2N5O3S/c1-31-16-5-3-11(7-13(16)21)28-19(30)12-8-24-27-18(12)26-20(28)32-9-17(29)25-15-6-10(22)2-4-14(15)23/h2-8H,9H2,1H3,(H,24,27)(H,25,29)InChIKey
LFHVQSSAXBKBOF-UHFFFAOYSA-NSynonyms
2((5(3chloro4methoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(25difluorophenyl)acetamide
2((5(3chloro4methoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(25difluorophenyl)acetamide
COC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=C(C=CC(=C4)F)F)Cl
COc1ccc(cc1Cl)n1c(SCC(=O)Nc2cc(F)ccc2F)nc2c(c1=O)cn(nH)2
InChI=1SC20H14ClF2N5O3Sc131165311(713(16)21)2819(30)128242718(12)2620(28)32917(29)2515610(22)2414(15)23h28H9H21H3(H2427)(H2529)
MFCD18182699
ZINC000051316601
ZINC51316601
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