Vitas-M small molecule compound
methyl (2E)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[(5-{[3-(trifluoromethyl)phenoxy]methyl}furan-2-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL174827
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1ccc(o1)COc1cccc(c1)C(F)(F)F)/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 C29H23F3N2O6S MW 584.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23F3N2O6S/c1-16-24(27(36)38-3)25(17-7-9-19(37-2)10-8-17)34-26(35)23(41-28(34)33-16)14-21-11-12-22(40-21)15-39-20-6-4-5-18(13-20)29(30,31)32/h4-14,25H,15H2,1-3H3/b23-14+InChIKey
NZZKIHXNXVYFNC-OEAKJJBVSA-NSynonyms
445025-52-5445025525
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)COC4=CC=CC(=C4)C(F)(F)F)SC2=N1)C5=CC=C(C=C5)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(o1)COc1cccc(c1)C(F)(F)F)s2
InChI=1SC29H23F3N2O6Sc11624(27(36)383)25(177919(372)10817)3426(35)23(4128(34)3316)1421111222(4021)15392064518(1320)29(3031)32h41425H15H213H3b2314+
methyl(2E)5(4methoxyphenyl)7methyl3oxo2((5((3(trifluoromethyl)phenoxy)methyl)furan2yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4methoxyphenyl)7methyl3oxo2((5((3(trifluoromethyl)phenoxy)methyl)furan2yl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL5(4METHOXYPHENYL)7METHYL3OXO2((5((3(TRIFLUOROMETHYL)PHENOXY)METHYL)2FURYL)METHYLENE)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03073952
ZINC000008454383
ZINC000008454384
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