Vitas-M small molecule compound
benzyl 2-ethyl-5-[(E)-2-(2-methoxyphenyl)ethenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK801137
SMILES CCC1SC2=NC(=C(C(N2C1=O)/C=C/c1ccccc1OC)C(=O)OCc1ccccc1)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 C26H26N2O4S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O4S/c1-4-22-24(29)28-20(15-14-19-12-8-9-13-21(19)31-3)23(17(2)27-26(28)33-22)25(30)32-16-18-10-6-5-7-11-18/h5-15,20,22H,4,16H2,1-3H3/b15-14+InChIKey
ZZBIIWHXOSRHJY-CCEZHUSRSA-NSynonyms
benzyl2ethyl5((E)2(2methoxyphenyl)ethenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
BENZYL2ETHYL5((E)2(2METHOXYPHENYL)ETHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC3=CC=CC=C3)C=CC4=CC=CC=C4OC
CCC1SC2=NC(=C(C(N2C1=O)C=Cc1ccccc1OC)C(=O)OCc1ccccc1)C
InChI=1SC26H26N2O4Sc142224(29)2820(15141912891321(19)313)23(17(2)2726(28)3322)25(30)321618106571118h5152022H416H213H3b1514+
MFCD06312419
ZINC000001103834
ZINC000015229630
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