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-(2,4-difluorobenzyl)acetamide
Catalog ID
STK985758
SMILES COc1ccc(cc1Cl)n1c(SCC(=O)NCc2ccc(cc2F)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 C21H16ClF2N5O3S MW 491.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClF2N5O3S/c1-32-17-5-4-13(7-15(17)22)29-20(31)14-9-26-28-19(14)27-21(29)33-10-18(30)25-8-11-2-3-12(23)6-16(11)24/h2-7,9H,8,10H2,1H3,(H,25,30)(H,26,28)InChIKey
YLHTZNQMAYCCFE-UHFFFAOYSA-NSynonyms
2((5(3chloro4methoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N((24difluorophenyl)methyl)acetamide
2((5(3chloro4methoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(24difluorobenzyl)acetamide
COC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NCC4=C(C=C(C=C4)F)F)Cl
COc1ccc(cc1Cl)n1c(SCC(=O)NCc2ccc(cc2F)F)nc2c(c1=O)cn(nH)2
InChI=1SC21H16ClF2N5O3Sc132175413(715(17)22)2920(31)149262819(14)2721(29)331018(30)258112312(23)616(11)24h279H810H21H3(H2530)(H2628)
MFCD18182716
ZINC000051316636
ZINC51316636
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