Vitas-M small molecule compound
N-{(2E)-2-{[(5-bromofuran-2-yl)carbonyl]amino}-3-[4-(propan-2-yloxy)phenyl]prop-2-enoyl}-beta-alanine
Catalog ID
STK700392
SMILES OC(=O)CCNC(=O)/C(=C\c1ccc(cc1)OC(C)C)/NC(=O)c1ccc(o1)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 C20H21BrN2O6 MW 465.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN2O6/c1-12(2)28-14-5-3-13(4-6-14)11-15(19(26)22-10-9-18(24)25)23-20(27)16-7-8-17(21)29-16/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)(H,23,27)(H,24,25)/b15-11+InChIKey
UDZGJONNNGQTQZ-RVDMUPIBSA-NSynonyms
331661-61-1(E)3(2(5bromofuran2carboxamido)3(4isopropoxyphenyl)acrylamido)propanoicacid
3(((E)2((5BROMOFURAN2CARBONYL)AMINO)3(4PROPAN2YLOXYPHENYL)PROP2ENOYL)AMINO)PROPANOICACID
331661611
CC(C)OC1=CC=C(C=C1)C=C(C(=O)NCCC(=O)O)NC(=O)C2=CC=C(O2)Br
InChI=1SC20H21BrN2O6c112(2)28145313(4614)1115(19(26)2210918(24)25)2320(27)167817(21)2916h381112H910H212H3(H2226)(H2327)(H2425)b1511+
MFCD00698801
N((2E)2(((5bromofuran2yl)carbonyl)amino)3(4(propan2yloxy)phenyl)prop2enoyl)betaalanine
OC(=O)CCNC(=O)C(=Cc1ccc(cc1)OC(C)C)NC(=O)c1ccc(o1)Br
ZINC000012382744
ZINC12382744
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