Vitas-M small molecule compound
propan-2-yl (2Z)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2-[4-(propan-2-yl)benzylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK803211
SMILES COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(cc1)C(C)C)/s2)C(=O)OC(C)C
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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 C28H30N2O4S MW 490.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O4S/c1-16(2)20-9-7-19(8-10-20)15-23-26(31)30-25(21-11-13-22(33-6)14-12-21)24(27(32)34-17(3)4)18(5)29-28(30)35-23/h7-17,25H,1-6H3/b23-15-InChIKey
IAARHHGVXZGRME-HAHDFKILSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)C(C)C)SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC(C)C
COc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1)C(C)C)s2)C(=O)OC(C)C
InChI=1SC28H30N2O4Sc116(2)209719(81020)152326(31)3025(21111322(336)141221)24(27(32)3417(3)4)18(5)2928(30)3523h71725H16H3b2315
MFCD02190738
PROPAN2YL(2Z)5(4METHOXYPHENYL)7METHYL3OXO2((4PROPAN2YLPHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
propan2yl(2Z)5(4methoxyphenyl)7methyl3oxo2(4(propan2yl)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000033453942
ZINC000033453944
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