Vitas-M small molecule compound
3-[(Z)-{3,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrazolidin-4-ylidene}methyl]phenyl thiophene-2-carboxylate
Catalog ID
STK393946
SMILES O=C(c1cccs1)Oc1cccc(c1)/C=C\1/C(=O)NN(C1=O)c1cccc(c1)C(F)(F)F
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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 C22H13F3N2O4S MW 458.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13F3N2O4S/c23-22(24,25)14-5-2-6-15(12-14)27-20(29)17(19(28)26-27)11-13-4-1-7-16(10-13)31-21(30)18-8-3-9-32-18/h1-12H,(H,26,28)/b17-11-InChIKey
HQHFTXJZLVRYFO-BOPFTXTBSA-NSynonyms
(3((Z)(35dioxo1(3(trifluoromethyl)phenyl)pyrazolidin4ylidene)methyl)phenyl)thiophene2carboxylate
3((Z)(35DIOXO1(3(TRIFLUOROMETHYL)PHENYL)PYRAZOLIDIN4YLIDENE)METHYL)PHENYLTHIOPHENE2CARBOXYLATE
C1=CC(=CC(=C1)OC(=O)C2=CC=CS2)C=C3C(=O)NN(C3=O)C4=CC=CC(=C4)C(F)(F)F
InChI=1SC22H13F3N2O4Sc2322(2425)1452615(1214)2720(29)17(19(28)2627)111341716(1013)3121(30)188393218h112H(H2628)b1711
MFCD03217370
O=C(c1cccs1)Oc1cccc(c1)C=C1C(=O)NN(C1=O)c1cccc(c1)C(F)(F)F
ZINC000015945300
ZINC15945300
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