Vitas-M small molecule compound
N-{[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]acetyl}isoleucine
Catalog ID
STL476737
SMILES CCC(C(C(=O)O)NC(=O)Cc1c(C)[nH]nc1c1ccc(cc1)F)C
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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 C18H22FN3O3 MW 347.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22FN3O3/c1-4-10(2)16(18(24)25)20-15(23)9-14-11(3)21-22-17(14)12-5-7-13(19)8-6-12/h5-8,10,16H,4,9H2,1-3H3,(H,20,23)(H,21,22)(H,24,25)InChIKey
NJBVEHFDIDGBRB-UHFFFAOYSA-NSynonyms
(2S3R)2(2(3(4fluorophenyl)5methyl1Hpyrazol4yl)acetamido)3methylpentanoicacid
2((2(3(4fluorophenyl)5methyl1Hpyrazol4yl)acetyl)amino)3methylpentanoicacid
CC(C@H)((C@@H)(C(=O)O)NC(=O)Cc1c(C)(nH)nc1c1ccc(cc1)F)C
CCC(C(C(=O)O)NC(=O)Cc1c(C)(nH)nc1c1ccc(cc1)F)C
CCC(C)C(C(=O)O)NC(=O)CC1=C(NN=C1C2=CC=C(C=C2)F)C
InChI=1SC18H22FN3O3c1410(2)16(18(24)25)2015(23)91411(3)212217(14)125713(19)8612h581016H49H213H3(H2023)(H2122)(H2425)
MFCD32649685
N((3(4fluorophenyl)5methyl1Hpyrazol4yl)acetyl)isoleucine
ZINC000253410439
ZINC000334160838
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