Vitas-M small molecule compound
methyl 5-(5-{(Z)-[1-(3-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)-2-chlorobenzoate
Catalog ID
STK838734
SMILES COC(=O)c1cc(ccc1Cl)c1ccc(o1)/C=C\1/C(=O)NN(C1=O)c1cccc(c1)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 C22H14BrClN2O5 MW 501.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14BrClN2O5/c1-30-22(29)16-9-12(5-7-18(16)24)19-8-6-15(31-19)11-17-20(27)25-26(21(17)28)14-4-2-3-13(23)10-14/h2-11H,1H3,(H,25,27)/b17-11-InChIKey
BYMMZKBPFRHYHK-BOPFTXTBSA-NSynonyms
(Z)methyl5(5((1(3bromophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)2chlorobenzoate
COC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC(=CC=C4)Br)Cl
COC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=O)NN(C1=O)c1cccc(c1)Br
InChI=1SC22H14BrClN2O5c13022(29)16912(5718(16)24)198615(3119)111720(27)2526(21(17)28)1442313(23)1014h211H1H3(H2527)b1711
METHYL5(5(((4Z)1(3BROMOPHENYL)35DIOXOPYRAZOLIDIN4YLIDENE)METHYL)FURAN2YL)2CHLOROBENZOATE
METHYL5(5((1(3BROMOPHENYL)35DIOXO(12DIAZOLIDIN4YLIDENE))METHYL)(2FURYL))2CHLOROBENZOATE
methyl5(5((Z)(1(3bromophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)2chlorobenzoate
MFCD01158281
ZINC000013601936
ZINC13601936
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