Vitas-M small molecule compound
methyl (2E)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2-(3-phenoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK306016
SMILES COC(=O)C1=C(C)N=c2n(C1c1cn(nc1C)C)c(=O)/c(=C\c1cccc(c1)Oc1ccccc1)/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 C27H24N4O4S MW 500.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O4S/c1-16-21(15-30(3)29-16)24-23(26(33)34-4)17(2)28-27-31(24)25(32)22(36-27)14-18-9-8-12-20(13-18)35-19-10-6-5-7-11-19/h5-15,24H,1-4H3/b22-14+InChIKey
QPPZWMMASTYQCT-HYARGMPZSA-NSynonyms
1005675-71-71005675717
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)SC2=N1)C5=CN(N=C5C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cn(nc1C)C)c(=O)c(=Cc1cccc(c1)Oc1ccccc1)s2
InChI=1SC27H24N4O4Sc11621(1530(3)2916)2423(26(33)344)17(2)282731(24)25(32)22(3627)1418981220(1318)3519106571119h51524H14H3b2214+
methyl(2E)5(13dimethyl1Hpyrazol4yl)7methyl3oxo2(3phenoxybenzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(13dimethylpyrazol4yl)7methyl3oxo2((3phenoxyphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD04046383
ZINC000013959755
ZINC000013959756
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