Vitas-M small molecule compound
ethyl 5-carbamoyl-2-[({7-[chloro(difluoro)methyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl}carbonyl)amino]-4-methylthiophene-3-carboxylate
Catalog ID
STK340465
SMILES CCOC(=O)c1c(NC(=O)c2nn3c(c2)nc(cc3C(Cl)(F)F)c2cccs2)sc(c1C)C(=O)N
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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 C21H16ClF2N5O4S2 MW 539.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClF2N5O4S2/c1-3-33-20(32)15-9(2)16(17(25)30)35-19(15)27-18(31)11-8-14-26-10(12-5-4-6-34-12)7-13(21(22,23)24)29(14)28-11/h4-8H,3H2,1-2H3,(H2,25,30)(H,27,31)InChIKey
KMFPOPXWHCLZBR-UHFFFAOYSA-NSynonyms
442670-60-2442670602
CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CS4)C(F)(F)Cl
ethyl5carbamoyl2(((7(chloro(difluoro)methyl)5(thiophen2yl)pyrazolo(15a)pyrimidin2yl)carbonyl)amino)4methylthiophene3carboxylate
ETHYL5CARBAMOYL2((7(CHLORO(DIFLUORO)METHYL)5THIOPHEN2YLPYRAZOLO(15A)PYRIMIDINE2CARBONYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H16ClF2N5O4S2c133320(32)159(2)16(17(25)30)3519(15)2718(31)118142610(125463412)713(21(2223)24)29(14)2811h48H3H212H3(H22530)(H2731)
MFCD03408189
ZINC000002192645
ZINC2192645
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