Vitas-M small molecule compound

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

Catalog ID
STK960950
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-4-28-20(27)17-13(2)23-21-25(18(17)15-8-6-5-7-9-15)19(26)16(29-21)10-14-11-22-24(3)12-14/h5-12,18H,4H2,1-3H3/b16-10-
InChIKey
AYYLKSPWNLDZCF-YBEGLDIGSA-N
Synonyms
492456-13-0
492456130
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cnn(c1)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CN(N=C4)C)S2)C
ethyl(2Z)7methyl2((1methyl1Hpyrazol4yl)methylidene)3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)7METHYL2((1METHYLPYRAZOL4YL)METHYLIDENE)3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL7METHYL2((1METHYL1HPYRAZOL4YL)METHYLENE)3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC21H20N4O3Sc142820(27)1713(2)232125(18(17)158657915)19(26)16(2921)1014112224(3)1214h51218H4H213H3b1610
MFCD02243578
ZINC000001003078
ZINC000001003080

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.