Vitas-M small molecule compound
methyl 3-(5-bromothiophen-2-yl)-3-[3-hydroxy-5-(4-methoxybenzyl)-1H-pyrazol-4-yl]propanoate
Catalog ID
STL407442
SMILES COC(=O)CC(c1c(O)n[nH]c1Cc1ccc(cc1)OC)c1ccc(s1)Br
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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 C19H19BrN2O4S MW 451.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrN2O4S/c1-25-12-5-3-11(4-6-12)9-14-18(19(24)22-21-14)13(10-17(23)26-2)15-7-8-16(20)27-15/h3-8,13H,9-10H2,1-2H3,(H2,21,22,24)InChIKey
HPBRFIPFSJSGGU-UHFFFAOYSA-NSynonyms
1574479-90-51574479905
COC(=O)CC(c1c(O)n(nH)c1Cc1ccc(cc1)OC)c1ccc(s1)Br
COC1=CC=C(C=C1)CC2=C(C(=O)NN2)C(CC(=O)OC)C3=CC=C(S3)Br
InChI=1SC19H19BrN2O4Sc125125311(4612)91418(19(24)222114)13(1017(23)262)157816(20)2715h3813H910H212H3(H2212224)
methyl3(5bromothiophen2yl)3(3((4methoxyphenyl)methyl)5oxo12dihydropyrazol4yl)propanoate
methyl3(5bromothiophen2yl)3(3hydroxy5(4methoxybenzyl)1Hpyrazol4yl)propanoate
MFCD30704741
ZINC000096118354
ZINC000096118355
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