Vitas-M small molecule compound
methyl (2E)-5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK305688
SMILES COC(=O)C1=C(C)N=c2n(C1c1cnn(c1C)C)c(=O)/c(=C\c1cc(OC)c(c(c1)OC)OC)/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 C24H26N4O6S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O6S/c1-12-19(23(30)34-7)20(15-11-25-27(3)13(15)2)28-22(29)18(35-24(28)26-12)10-14-8-16(31-4)21(33-6)17(9-14)32-5/h8-11,20H,1-7H3/b18-10+InChIKey
NGCGPGKBUHNOSL-VCHYOVAHSA-NSynonyms
1005579-52-11005579521
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)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(=Cc1cc(OC)c(c(c1)OC)OC)s2
InChI=1SC24H26N4O6Sc11219(23(30)347)20(15112527(3)13(15)2)2822(29)18(3524(28)2612)1014816(314)21(336)17(914)325h81120H17H3b1810+
methyl(2E)5(15dimethyl1Hpyrazol4yl)7methyl3oxo2(345trimethoxybenzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2E)5(15DIMETHYLPYRAZOL4YL)7METHYL3OXO2((345TRIMETHOXYPHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD04045934
ZINC000013959697
ZINC000013959698
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