Vitas-M small molecule compound
4-{(Z)-[1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate
Catalog ID
STL432669
SMILES O=C(c1cccs1)Oc1ccc(cc1)/C=C\1/C(=O)NN(C1=O)c1ccc(c(c1)C)C
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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 C23H18N2O4S MW 418.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O4S/c1-14-5-8-17(12-15(14)2)25-22(27)19(21(26)24-25)13-16-6-9-18(10-7-16)29-23(28)20-4-3-11-30-20/h3-13H,1-2H3,(H,24,26)/b19-13-InChIKey
HWYLXZZIGXZJPY-UYRXBGFRSA-NSynonyms
(4((Z)(1(34DIMETHYLPHENYL)35DIOXOPYRAZOLIDIN4YLIDENE)METHYL)PHENYL)THIOPHENE2CARBOXYLATE
4((Z)(1(34dimethylphenyl)35dioxopyrazolidin4ylidene)methyl)phenylthiophene2carboxylate
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=CS4)C(=O)N2)C
InChI=1SC23H18N2O4Sc1145817(1215(14)2)2522(27)19(21(26)2425)13166918(10716)2923(28)2043113020h313H12H3(H2426)b1913
MFCD03721784
O=C(c1cccs1)Oc1ccc(cc1)C=C1C(=O)NN(C1=O)c1ccc(c(c1)C)C
ZINC000016266413
ZINC16266413
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