Vitas-M small molecule compound
methyl (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
STK811338
SMILES COC(=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 C24H22N2O3S2 MW 450.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N2O3S2/c1-14-5-7-16(8-6-14)13-19-22(27)26-21(17-9-11-18(30-4)12-10-17)20(23(28)29-3)15(2)25-24(26)31-19/h5-13,21H,1-4H3/b19-13+InChIKey
NGTOBNXSTBPFDP-CPNJWEJPSA-NSynonyms
CC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=C(C=C4)SC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)c(=Cc1ccc(cc1)C)s2
InChI=1SC24H22N2O3S2c1145716(8614)131922(27)2621(1791118(304)121017)20(23(28)293)15(2)2524(26)3119h51321H14H3b1913+
METHYL(2E)7METHYL2((4METHYLPHENYL)METHYLIDENE)5(4METHYLSULFANYLPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2E)7methyl2(4methylbenzylidene)5(4(methylsulfanyl)phenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD06264853
ZINC000001466877
ZINC000001466879
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