Vitas-M small molecule compound
3-(5-{(Z)-[6-(ethoxycarbonyl)-5-(4-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK742479
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)/c(=C/c1ccc(o1)c1cccc(c1)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 C28H21FN2O6S MW 532.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21FN2O6S/c1-3-36-27(35)23-15(2)30-28-31(24(23)16-7-9-19(29)10-8-16)25(32)22(38-28)14-20-11-12-21(37-20)17-5-4-6-18(13-17)26(33)34/h4-14,24H,3H2,1-2H3,(H,33,34)/b22-14-InChIKey
DPORHRQEWRMFEX-HMAPJEAMSA-NSynonyms
306943-09-9(Z)3(5((6(ethoxycarbonyl)5(4fluorophenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidin2ylidene)methyl)furan2yl)benzoicacid
3(5((Z)(6(ethoxycarbonyl)5(4fluorophenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)benzoicacid
3(5((Z)(6ETHOXYCARBONYL5(4FLUOROPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)FURAN2YL)BENZOICACID
306943099
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)c(=Cc1ccc(o1)c1cccc(c1)C(=O)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)S2)C
InChI=1SC28H21FN2O6Sc133627(35)2315(2)302831(24(23)167919(29)10816)25(32)22(3828)1420111221(3720)1754618(1317)26(33)34h41424H3H212H3(H3334)b2214
MFCD03008759
ZINC000001811729
ZINC000001811733
Check stock
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Check stock on Vitas-MAvailable files
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