Vitas-M small molecule compound
methyl (2Z)-2-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}benzylidene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL173656
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc(c(c1)COc1cccc(c1)C(F)(F)F)OC)/s2
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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 C31H25F3N2O5S MW 594.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25F3N2O5S/c1-18-26(29(38)40-3)27(20-8-5-4-6-9-20)36-28(37)25(42-30(36)35-18)15-19-12-13-24(39-2)21(14-19)17-41-23-11-7-10-22(16-23)31(32,33)34/h4-16,27H,17H2,1-3H3/b25-15-InChIKey
XUKVHKZUNHUFSW-MYYYXRDXSA-NSynonyms
445036-26-0445036260
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OC)COC4=CC=CC(=C4)C(F)(F)F)SC2=N1)C5=CC=CC=C5)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(c(c1)COc1cccc(c1)C(F)(F)F)OC)s2
InChI=1SC31H25F3N2O5Sc11826(29(38)403)27(208546920)3628(37)25(4230(36)3518)1519121324(392)21(1419)1741231171022(1623)31(3233)34h41627H17H213H3b2515
METHYL(2Z)2((4METHOXY3((3(TRIFLUOROMETHYL)PHENOXY)METHYL)PHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(4methoxy3((3(trifluoromethyl)phenoxy)methyl)benzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2(4METHOXY3((3(TRIFLUOROMETHYL)PHENOXY)METHYL)BENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD02243319
ZINC000002107523
ZINC000002107529
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