Vitas-M small molecule compound

methyl (2E)-5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2-[4-(trifluoromethyl)benzylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STL400581
SMILES COC(=O)C1=C(C)N=c2n(C1c1cnn(c1C)C)c(=O)/c(=C\c1ccc(cc1)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 C22H19F3N4O3S MW 476.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F3N4O3S/c1-11-17(20(31)32-4)18(15-10-26-28(3)12(15)2)29-19(30)16(33-21(29)27-11)9-13-5-7-14(8-6-13)22(23,24)25/h5-10,18H,1-4H3/b16-9+
InChIKey
JERYIIBVUFNGHW-CXUHLZMHSA-N
Synonyms
1005629-52-6
1005629526
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)C(F)(F)F)SC2=N1)C4=C(N(N=C4)C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cnn(c1C)C)c(=O)c(=Cc1ccc(cc1)C(F)(F)F)s2
InChI=1SC22H19F3N4O3Sc11117(20(31)324)18(15102628(3)12(15)2)2919(30)16(3321(29)2711)9135714(8613)22(2324)25h51018H14H3b169+
methyl(2E)5(15dimethyl1Hpyrazol4yl)7methyl3oxo2(4(trifluoromethyl)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(15dimethylpyrazol4yl)7methyl3oxo2((4(trifluoromethyl)phenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD04045916
ZINC000022712468
ZINC000022712472

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Available files

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