Vitas-M small molecule compound
methyl 4-{(4Z)-3,5-dioxo-4-[(5-{4-[(propan-2-yloxy)carbonyl]phenyl}furan-2-yl)methylidene]pyrazolidin-1-yl}benzoate
Catalog ID
STL432599
SMILES COC(=O)c1ccc(cc1)N1NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)C(=O)OC(C)C)/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 C26H22N2O7 MW 474.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N2O7/c1-15(2)34-26(32)18-6-4-16(5-7-18)22-13-12-20(35-22)14-21-23(29)27-28(24(21)30)19-10-8-17(9-11-19)25(31)33-3/h4-15H,1-3H3,(H,27,29)/b21-14-InChIKey
GQFPATPIYXTFJO-STZFKDTASA-NSynonyms
CC(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)N1NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)OC(C)C)C1=O
InChI=1SC26H22N2O7c115(2)3426(32)186416(5718)22131220(3522)142123(29)2728(24(21)30)1910817(91119)25(31)333h415H13H3(H2729)b2114
methyl4((4Z)35dioxo4((5(4((propan2yloxy)carbonyl)phenyl)furan2yl)methylidene)pyrazolidin1yl)benzoate
METHYL4(4((5(4(ISOPROPOXYCARBONYL)PHENYL)2FURYL)METHYLENE)35DIOXO1PYRAZOLIDINYL)BENZOATE
MFCD02951158
PROPAN2YL4(5((Z)(1(4METHOXYCARBONYLPHENYL)35DIOXOPYRAZOLIDIN4YLIDENE)METHYL)FURAN2YL)BENZOATE
ZINC000000666850
ZINC00666850
ZINC666850
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