Vitas-M small molecule compound
methyl N-{[1-(4-bromophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}-beta-alaninate
Catalog ID
STL160527
SMILES COC(=O)CCNC(=O)c1cnn(c1n1cccc1)c1ccc(cc1)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 C18H17BrN4O3 MW 417.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrN4O3/c1-26-16(24)8-9-20-17(25)15-12-21-23(14-6-4-13(19)5-7-14)18(15)22-10-2-3-11-22/h2-7,10-12H,8-9H2,1H3,(H,20,25)InChIKey
DZKXOCJTXZDABM-UHFFFAOYSA-NSynonyms
1246074-42-91246074429
COC(=O)CCNC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)Br)N3C=CC=C3
InChI=1SC18H17BrN4O3c12616(24)892017(25)15122123(146413(19)5714)18(15)2210231122h271012H89H21H3(H2025)
methyl3((1(4bromophenyl)5pyrrol1ylpyrazole4carbonyl)amino)propanoate
methyl3(1(4bromophenyl)5(1Hpyrrol1yl)1Hpyrazole4carboxamido)propanoate
methylN((1(4bromophenyl)5(1Hpyrrol1yl)1Hpyrazol4yl)carbonyl)betaalaninate
MFCD18069265
ZINC000049549376
ZINC49549376
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