Vitas-M small molecule compound
methyl 3-(5-bromothiophen-2-yl)-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL313222
SMILES COC(=O)CC(c1c(C)[nH]nc1O)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 C12H13BrN2O3S MW 345.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13BrN2O3S/c1-6-11(12(17)15-14-6)7(5-10(16)18-2)8-3-4-9(13)19-8/h3-4,7H,5H2,1-2H3,(H2,14,15,17)InChIKey
RYFJXTMSRXKCCC-UHFFFAOYSA-NSynonyms
1435908-82-91435908829
CC1=C(C(=O)NN1)C(CC(=O)OC)C2=CC=C(S2)Br
COC(=O)CC(c1c(C)(nH)nc1O)c1ccc(s1)Br
InChI=1SC12H13BrN2O3Sc1611(12(17)15146)7(510(16)182)8349(13)198h347H5H212H3(H2141517)
methyl3(5bromothiophen2yl)3(3hydroxy5methyl1Hpyrazol4yl)propanoate
methyl3(5bromothiophen2yl)3(3methyl5oxo12dihydropyrazol4yl)propanoate
MFCD28029979
ZINC000095475361
ZINC000095475362
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