Vitas-M small molecule compound
methyl (2Z)-5-[4-(diethylamino)phenyl]-2-[(1-ethyl-1H-pyrazol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL401527
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(CC)CC)c(=O)/c(=C/c1ccnn1CC)/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 C25H29N5O3S MW 479.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O3S/c1-6-28(7-2)18-11-9-17(10-12-18)22-21(24(32)33-5)16(4)27-25-30(22)23(31)20(34-25)15-19-13-14-26-29(19)8-3/h9-15,22H,6-8H2,1-5H3/b20-15-InChIKey
DLMNEMOEYQIMMJ-HKWRFOASSA-NSynonyms
CCN1C(=CC=N1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=C(C=C4)N(CC)CC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(CC)CC)c(=O)c(=Cc1ccnn1CC)s2
InChI=1SC25H29N5O3Sc1628(72)1811917(101218)2221(24(32)335)16(4)272530(22)23(31)20(3425)151913142629(19)83h91522H68H215H3b2015
methyl(2Z)5(4(diethylamino)phenyl)2((1ethyl1Hpyrazol5yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)5(4(diethylamino)phenyl)2((2ethylpyrazol3yl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD28952600
ZINC000002788451
ZINC000002788453
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