Vitas-M small molecule compound
ethyl (2E)-2-(4-tert-butylbenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794269
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccc(cc1)C(C)(C)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 C25H26N2O3S2 MW 466.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O3S2/c1-6-30-23(29)20-15(2)26-24-27(21(20)18-8-7-13-31-18)22(28)19(32-24)14-16-9-11-17(12-10-16)25(3,4)5/h7-14,21H,6H2,1-5H3/b19-14+InChIKey
JSYZSPZIUCQMLB-XMHGGMMESA-NSynonyms
372503-90-7(E)ethyl2(4(tertbutyl)benzylidene)7methyl3oxo5(thiophen2yl)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
372503907
CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(cc1)C(C)(C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC=C(C=C4)C(C)(C)C)S2)C
ethyl(2E)2((4tertbutylphenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(4tertbutylbenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2((4TERTBUTYLPHENYL)METHYLIDENE)7METHYL3OXO5(THIOPHEN2YL)2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
InChI=1SC25H26N2O3S2c163023(29)2015(2)262427(21(20)1887133118)22(28)19(3224)141691117(121016)25(34)5h71421H6H215H3b1914+
MFCD01944830
ZINC000009183583
ZINC000009183584
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