Vitas-M small molecule compound
4-{(Z)-[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}benzoic acid
Catalog ID
STK019632
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc(cc1)C(=O)O)/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 C24H20N2O5S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N2O5S/c1-3-31-23(30)19-14(2)25-24-26(20(19)16-7-5-4-6-8-16)21(27)18(32-24)13-15-9-11-17(12-10-15)22(28)29/h4-13,20H,3H2,1-2H3,(H,28,29)/b18-13-InChIKey
HQWSFANIJGJSAI-AQTBWJFISA-NSynonyms
4((Z)(6(ETHOXYCARBONYL)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)BENZOICACID
4((Z)(6ETHOXYCARBONYL7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)BENZOICACID
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(cc1)C(=O)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC=C(C=C4)C(=O)O)S2)C
InChI=1SC24H20N2O5Sc133123(30)1914(2)252426(20(19)167546816)21(27)18(3224)131591117(121015)22(28)29h41320H3H212H3(H2829)b1813
MFCD02316846
STK019632
ZINC000013940297
ZINC000013940298
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