Vitas-M small molecule compound
2-methoxy-4-[(Z)-{1-[4-(methoxycarbonyl)phenyl]-3,5-dioxopyrazolidin-4-ylidene}methyl]phenyl thiophene-2-carboxylate
Catalog ID
STL431338
SMILES COc1cc(ccc1OC(=O)c1cccs1)/C=C\1/C(=O)NN(C1=O)c1ccc(cc1)C(=O)OC
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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 C24H18N2O7S MW 478.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O7S/c1-31-19-13-14(5-10-18(19)33-24(30)20-4-3-11-34-20)12-17-21(27)25-26(22(17)28)16-8-6-15(7-9-16)23(29)32-2/h3-13H,1-2H3,(H,25,27)/b17-12-InChIKey
DYWWXTMPBSOIJD-ATVHPVEESA-NSynonyms
(2methoxy4((Z)(1(4methoxycarbonylphenyl)35dioxopyrazolidin4ylidene)methyl)phenyl)thiophene2carboxylate
2methoxy4((Z)(1(4(methoxycarbonyl)phenyl)35dioxopyrazolidin4ylidene)methyl)phenylthiophene2carboxylate
COC1=C(C=CC(=C1)C=C2C(=O)NN(C2=O)C3=CC=C(C=C3)C(=O)OC)OC(=O)C4=CC=CS4
COc1cc(ccc1OC(=O)c1cccs1)C=C1C(=O)NN(C1=O)c1ccc(cc1)C(=O)OC
InChI=1SC24H18N2O7Sc131191314(51018(19)3324(30)2043113420)121721(27)2526(22(17)28)168615(7916)23(29)322h313H12H3(H2527)b1712
MFCD03307231
ZINC000032099538
ZINC32099538
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