Vitas-M small molecule compound
methyl (2E)-2-(3-bromobenzylidene)-5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL401553
SMILES COC(=O)C1=C(C)N=c2n(C1c1cnn(c1C)C)c(=O)/c(=C\c1cccc(c1)Br)/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 C21H19BrN4O3S MW 487.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O3S/c1-11-17(20(28)29-4)18(15-10-23-25(3)12(15)2)26-19(27)16(30-21(26)24-11)9-13-6-5-7-14(22)8-13/h5-10,18H,1-4H3/b16-9+InChIKey
KANIKCYIWNPLMC-CXUHLZMHSA-NSynonyms
1005624-13-41005624134
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)Br)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(=Cc1cccc(c1)Br)s2
InChI=1SC21H19BrN4O3Sc11117(20(28)294)18(15102325(3)12(15)2)2619(27)16(3021(26)2411)91365714(22)813h51018H14H3b169+
methyl(2E)2((3bromophenyl)methylidene)5(15dimethylpyrazol4yl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2(3bromobenzylidene)5(15dimethyl1Hpyrazol4yl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD04050227
ZINC000020602375
ZINC000020602376
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