Vitas-M small molecule compound
4-(5-{(Z)-[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
STK522627
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)/c(=C/c1ccc(o1)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 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)28-23-8-6-5-7-19(23)13-15-25(28)40-3)30(36)26(43-33)17-22-14-16-24(42-22)20-9-11-21(12-10-20)31(37)38/h5-17,29H,4H2,1-3H3,(H,37,38)/b26-17-InChIKey
KUXINJBPXBSCPH-ONUIUJJFSA-NSynonyms
4(5((Z)(6(ethoxycarbonyl)5(2methoxynaphthalen1yl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)benzoicacid
4(5((Z)(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)c1ccc(cc1)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=C(C=C6)C(=O)O)S2)C
InChI=1SC33H26N2O7Sc144132(39)2718(2)343335(29(27)2823865719(23)131525(28)403)30(36)26(4333)1722141624(4222)2091121(121020)31(37)38h51729H4H213H3(H3738)b2617
MFCD01592998
ZINC000002189861
ZINC000002189863
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.