Vitas-M small molecule compound
4-{(Z)-[6-(ethoxycarbonyl)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}benzoic acid
Catalog ID
STK393281
SMILES C=CCOc1ccc(cc1OCC)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(cc1)C(=O)O)/s2)C(=O)OCC
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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 C29H28N2O7S MW 548.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O7S/c1-5-14-38-21-13-12-20(16-22(21)36-6-2)25-24(28(35)37-7-3)17(4)30-29-31(25)26(32)23(39-29)15-18-8-10-19(11-9-18)27(33)34/h5,8-13,15-16,25H,1,6-7,14H2,2-4H3,(H,33,34)/b23-15-InChIKey
JIDVLQJILQBICR-HAHDFKILSA-NSynonyms
4((Z)(6(ethoxycarbonyl)5(3ethoxy4(prop2en1yloxy)phenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)benzoicacid
4((Z)(6ETHOXYCARBONYL5(3ETHOXY4PROP2ENOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)BENZOICACID
C=CCOc1ccc(cc1OCC)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1)C(=O)O)s2)C(=O)OCC
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=C(C=C4)C(=O)O)S3)C)C(=O)OCC)OCC=C
InChI=1SC29H28N2O7Sc15143821131220(1622(21)3662)2524(28(35)3773)17(4)302931(25)26(32)23(3929)151881019(11918)27(33)34h5813151625H16714H224H3(H3334)b2315
MFCD04083568
ZINC000097964112
ZINC000097964113
Check stock
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Check stock on Vitas-MAvailable files
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