Vitas-M small molecule compound

methyl (2E)-2-(2-chlorobenzylidene)-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
STL403600
SMILES COC(=O)C1=C(C)N=c2n(C1c1cnn(c1C)C)c(=O)/c(=C\c1ccccc1Cl)/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 C21H19ClN4O3S MW 442.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O3S/c1-11-17(20(28)29-4)18(14-10-23-25(3)12(14)2)26-19(27)16(30-21(26)24-11)9-13-7-5-6-8-15(13)22/h5-10,18H,1-4H3/b16-9+
InChIKey
RJDKWSJBTWIFQE-CXUHLZMHSA-N
Synonyms
1005579-13-4
1005579134
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3Cl)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(=Cc1ccccc1Cl)s2
InChI=1SC21H19ClN4O3Sc11117(20(28)294)18(14102325(3)12(14)2)2619(27)16(3021(26)2411)913756815(13)22h51018H14H3b169+
methyl(2E)2((2chlorophenyl)methylidene)5(15dimethylpyrazol4yl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2(2chlorobenzylidene)5(15dimethyl1Hpyrazol4yl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD04045907
ZINC000019637343
ZINC000019637347

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Available files

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