Vitas-M small molecule compound

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

Catalog ID
STK332349
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cnn(c1C)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/c1-12-17(20(27)28-4)18(14-8-6-5-7-9-14)25-19(26)16(29-21(25)23-12)10-15-11-22-24(3)13(15)2/h5-11,18H,1-4H3/b16-10+
InChIKey
FGXTTWHUXXPEAA-MHWRWJLKSA-N
Synonyms
494219-48-6
494219486
CC1=C(C(N2C(=O)C(=CC3=C(N(N=C3)C)C)SC2=N1)C4=CC=CC=C4)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cnn(c1C)C)s2
InChI=1SC21H20N4O3Sc11217(20(27)284)18(148657914)2519(26)16(2921(25)2312)1015112224(3)13(15)2h51118H14H3b1610+
methyl(2E)2((15dimethyl1Hpyrazol4yl)methylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2((15dimethylpyrazol4yl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2((15DIMETHYL1HPYRAZOL4YL)METHYLENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD02608954
ZINC000001003245
ZINC000001003247

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Available files

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