Vitas-M small molecule compound
2-methoxyethyl (2E)-7-methyl-2-(4-methylbenzylidene)-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK811656
SMILES COCCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)/c(=C\c1ccc(cc1)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 C26H26N2O4S2 MW 494.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O4S2/c1-16-5-7-18(8-6-16)15-21-24(29)28-23(19-9-11-20(33-4)12-10-19)22(17(2)27-26(28)34-21)25(30)32-14-13-31-3/h5-12,15,23H,13-14H2,1-4H3/b21-15+InChIKey
LKCIRTOFORIBLD-RCCKNPSSSA-NSynonyms
2METHOXYETHYL(2E)7METHYL2((4METHYLPHENYL)METHYLIDENE)5(4METHYLSULFANYLPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
2methoxyethyl(2E)7methyl2(4methylbenzylidene)5(4(methylsulfanyl)phenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCCOC)C4=CC=C(C=C4)SC
COCCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)c(=Cc1ccc(cc1)C)s2
InChI=1SC26H26N2O4S2c1165718(8616)152124(29)2823(1991120(334)121019)22(17(2)2726(28)3421)25(30)321413313h5121523H1314H214H3b2115+
MFCD06264915
ZINC000016713726
ZINC000016713728
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