Vitas-M small molecule compound
methyl N-{[1-(2-chloro-5-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}methioninate
Catalog ID
STL152866
SMILES CSCCC(C(=O)OC)NC(=O)c1cnn(c1n1cccc1)c1cc(F)ccc1Cl
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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 C20H20ClFN4O3S MW 450.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClFN4O3S/c1-29-20(28)16(7-10-30-2)24-18(27)14-12-23-26(19(14)25-8-3-4-9-25)17-11-13(22)5-6-15(17)21/h3-6,8-9,11-12,16H,7,10H2,1-2H3,(H,24,27)InChIKey
NUOYCVFOAIXBFF-UHFFFAOYSA-NSynonyms
(S)methyl2(1(2chloro5fluorophenyl)5(1Hpyrrol1yl)1Hpyrazole4carboxamido)4(methylthio)butanoate
COC(=O)C(CCSC)NC(=O)C1=C(N(N=C1)C2=C(C=CC(=C2)F)Cl)N3C=CC=C3
CSCC(C@@H)(C(=O)OC)NC(=O)c1cnn(c1n1cccc1)c1cc(F)ccc1Cl
InChI=1SC20H20ClFN4O3Sc12920(28)16(710302)2418(27)14122326(19(14)25834925)171113(22)5615(17)21h3689111216H710H212H3(H2427)
methyl2((1(2chloro5fluorophenyl)5pyrrol1ylpyrazole4carbonyl)amino)4methylsulfanylbutanoate
methylN((1(2chloro5fluorophenyl)5(1Hpyrrol1yl)1Hpyrazol4yl)carbonyl)methioninate
MFCD20756507
ZINC000049550496
ZINC000071328831
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