Vitas-M small molecule compound
4-(5-{(E)-[5-(3,4-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)-3-methylbenzoic acid
Catalog ID
STL181361
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C\c1ccc(o1)c1ccc(cc1C)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 C31H28N2O8S MW 588.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O8S/c1-6-40-30(37)26-17(3)32-31-33(27(26)18-8-11-23(38-4)24(14-18)39-5)28(34)25(42-31)15-20-9-12-22(41-20)21-10-7-19(29(35)36)13-16(21)2/h7-15,27H,6H2,1-5H3,(H,35,36)/b25-15+InChIKey
HZOXJBZWGIOOTD-MFKUBSTISA-NSynonyms
4(5((E)(5(34dimethoxyphenyl)6(ethoxycarbonyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)3methylbenzoicacid
4(5((E)(5(34dimethoxyphenyl)6ethoxycarbonyl7methyl3oxo5H(13)thiazolo(32a)pyrimidin2ylidene)methyl)furan2yl)3methylbenzoicacid
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1ccc(o1)c1ccc(cc1C)C(=O)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC=C(O4)C5=C(C=C(C=C5)C(=O)O)C)S2)C
InChI=1SC31H28N2O8Sc164030(37)2617(3)323133(27(26)1881123(384)24(1418)395)28(34)25(4231)152091222(4120)2110719(29(35)36)1316(21)2h71527H6H215H3(H3536)b2515+
MFCD02374148
ZINC000102448868
ZINC000102448871
Check stock
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Check stock on Vitas-MAvailable files
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