Vitas-M small molecule compound
methyl 3-(5-benzyl-3-hydroxy-1H-pyrazol-4-yl)-3-(5-bromothiophen-2-yl)propanoate
Catalog ID
STL410418
SMILES COC(=O)CC(c1c(O)n[nH]c1Cc1ccccc1)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 C18H17BrN2O3S MW 421.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrN2O3S/c1-24-16(22)10-12(14-7-8-15(19)25-14)17-13(20-21-18(17)23)9-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H2,20,21,23)InChIKey
HSMXCQUDJZFWPE-UHFFFAOYSA-NSynonyms
1574515-39-11574515391
COC(=O)CC(C1=CC=C(S1)Br)C2=C(NNC2=O)CC3=CC=CC=C3
COC(=O)CC(c1c(O)n(nH)c1Cc1ccccc1)c1ccc(s1)Br
InChI=1SC18H17BrN2O3Sc12416(22)1012(147815(19)2514)1713(202118(17)23)9115324611h2812H910H21H3(H2202123)
methyl3(3benzyl5oxo12dihydropyrazol4yl)3(5bromothiophen2yl)propanoate
methyl3(5benzyl3hydroxy1Hpyrazol4yl)3(5bromothiophen2yl)propanoate
MFCD30706197
ZINC000096117397
ZINC000096117398
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