Vitas-M small molecule compound
methyl (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160454
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc2c(c1)OCO2)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 C22H16F3NO5 MW 431.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16F3NO5/c1-12-19(21(28)29-2)16(8-13-6-7-17-18(9-13)31-11-30-17)20(27)26(12)15-5-3-4-14(10-15)22(23,24)25/h3-10H,11H2,1-2H3/b16-8-InChIKey
ZWHYQHXWFCPQKZ-PXNMLYILSA-NSynonyms
CC1=C(C(=CC2=CC3=C(C=C2)OCO3)C(=O)N1C4=CC=CC(=C4)C(F)(F)F)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc2c(c1)OCO2)c1cccc(c1)C(F)(F)F
InChI=1SC22H16F3NO5c11219(21(28)292)16(813671718(913)31113017)20(27)26(12)1553414(1015)22(2324)25h310H11H212H3b168
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)2METHYL5OXO1(3(TRIFLUOROMETHYL)PHENYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4(13BENZODIOXOL5YLMETHYLIDENE)2METHYL5OXO1(3(TRIFLUOROMETHYL)PHENYL)PYRROLE3CARBOXYLATE
MFCD03711311
ZINC000001161589
ZINC01161589
ZINC1161589
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