Vitas-M small molecule compound
3-(5-{(Z)-[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STL431932
SMILES Brc1ccc(cc1)N1NC(=O)/C(=C/c2ccc(o2)c2cccc(c2)C(=O)O)/C1=O
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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 C21H13BrN2O5 MW 453.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13BrN2O5/c22-14-4-6-15(7-5-14)24-20(26)17(19(25)23-24)11-16-8-9-18(29-16)12-2-1-3-13(10-12)21(27)28/h1-11H,(H,23,25)(H,27,28)/b17-11-InChIKey
PDUGQOOAQRDTFD-BOPFTXTBSA-NSynonyms
3(5((1(4BROMOPHENYL)35DIOXO12DIAZOLIDIN4YLIDENE)METHYL)2FURYL)BENZOICACID
3(5((Z)(1(4bromophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoicacid
Brc1ccc(cc1)N1NC(=O)C(=Cc2ccc(o2)c2cccc(c2)C(=O)O)C1=O
C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC=C(C=C4)Br
InChI=1SC21H13BrN2O5c22144615(7514)2420(26)17(19(25)2324)11168918(2916)1221313(1012)21(27)28h111H(H2325)(H2728)b1711
MFCD01785233
ZINC000012428659
ZINC12428659
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