Vitas-M small molecule compound

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

Catalog ID
STL403145
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Br)c(=O)/c(=C\c1cnn(c1)C)/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/c1-4-29-20(28)17-12(2)24-21-26(18(17)14-5-7-15(22)8-6-14)19(27)16(30-21)9-13-10-23-25(3)11-13/h5-11,18H,4H2,1-3H3/b16-9+
InChIKey
IBHRYDXLWBRIAH-CXUHLZMHSA-N
Synonyms
1005609-34-6
1005609346
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Br)c(=O)c(=Cc1cnn(c1)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Br)C(=O)C(=CC4=CN(N=C4)C)S2)C
ethyl(2E)5(4bromophenyl)7methyl2((1methyl1Hpyrazol4yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4bromophenyl)7methyl2((1methylpyrazol4yl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC21H19BrN4O3Sc142920(28)1712(2)242126(18(17)145715(22)8614)19(27)16(3021)913102325(3)1113h51118H4H213H3b169+
MFCD04052492
ZINC000020608480
ZINC000020608481

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Available files

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