Vitas-M small molecule compound
methyl (4Z)-2-methyl-4-[4-(methylsulfanyl)benzylidene]-5-oxo-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK065472
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)SC)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 C22H18F3NO3S MW 433.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F3NO3S/c1-13-19(21(28)29-2)18(11-14-7-9-17(30-3)10-8-14)20(27)26(13)16-6-4-5-15(12-16)22(23,24)25/h4-12H,1-3H3/b18-11-InChIKey
WCXFDCFQTBRKJQ-WQRHYEAKSA-NSynonyms
CC1=C(C(=CC2=CC=C(C=C2)SC)C(=O)N1C3=CC=CC(=C3)C(F)(F)F)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)SC)c1cccc(c1)C(F)(F)F
InChI=1SC22H18F3NO3Sc11319(21(28)292)18(11147917(303)10814)20(27)26(13)1664515(1216)22(2324)25h412H13H3b1811
METHYL(4Z)2METHYL4((4METHYLSULFANYLPHENYL)METHYLIDENE)5OXO1(3(TRIFLUOROMETHYL)PHENYL)PYRROLE3CARBOXYLATE
METHYL(4Z)2METHYL4(4(METHYLSULFANYL)BENZYLIDENE)5OXO1(3(TRIFLUOROMETHYL)PHENYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL2METHYL4(4(METHYLSULFANYL)BENZYLIDENE)5OXO1(3(TRIFLUOROMETHYL)PHENYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03258502
STK065472
ZINC000000638613
ZINC00638613
ZINC638613
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