Vitas-M small molecule compound
3-(5-{(E)-[6-(ethoxycarbonyl)-5-(2-methoxynaphthalen-1-yl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK662079
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1c(OC)ccc3c1cccc3)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 C33H26N2O7S MW 594.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26N2O7S/c1-4-41-32(39)27-18(2)34-33-35(29(27)28-23-11-6-5-8-19(23)12-14-25(28)40-3)30(36)26(43-33)17-22-13-15-24(42-22)20-9-7-10-21(16-20)31(37)38/h5-17,29H,4H2,1-3H3,(H,37,38)/b26-17+InChIKey
VRQZNFIWLWGVPJ-YZSQISJMSA-NSynonyms
(Z)3(5((6(ethoxycarbonyl)5(2methoxynaphthalen1yl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidin2ylidene)methyl)furan2yl)benzoicacid
3(5((E)(6(ethoxycarbonyl)5(2methoxynaphthalen1yl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)benzoicacid
3(5((E)(6ethoxycarbonyl5(2methoxynaphthalen1yl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2ylidene)methyl)furan2yl)benzoicacid
CCOC(=O)C1=C(C)N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)c(=Cc1ccc(o1)c1cccc(c1)C(=O)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC4=CC=CC=C43)OC)C(=O)C(=CC5=CC=C(O5)C6=CC(=CC=C6)C(=O)O)S2)C
InChI=1SC33H26N2O7Sc144132(39)2718(2)343335(29(27)28231165819(23)121425(28)403)30(36)26(4333)1722131524(4222)20971021(1620)31(37)38h51729H4H213H3(H3738)b2617+
MFCD07437653
ZINC000097968624
ZINC000097968625
Check stock
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Check stock on Vitas-MAvailable files
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