Vitas-M small molecule compound
5-(5-{(E)-[5-(2-bromo-4,5-dimethoxyphenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
Catalog ID
STK674866
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)c(cc1Br)OC)c(=O)/c(=C\c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)/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 C30H24BrClN2O8S MW 687.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24BrClN2O8S/c1-5-41-29(38)25-14(2)33-30-34(26(25)17-12-22(39-3)23(40-4)13-19(17)31)27(35)24(43-30)11-16-7-9-21(42-16)15-6-8-20(32)18(10-15)28(36)37/h6-13,26H,5H2,1-4H3,(H,36,37)/b24-11+InChIKey
YEAQUKITQCWKKQ-BHGWPJFGSA-NSynonyms
5(5((5(2BROMO45DIMETHOXYPHENYL)6(ETHOXYCARBONYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2(3H)YLIDENE)METHYL)2FURYL)2CHLOROBENZOICACID
5(5((E)(5(2bromo45dimethoxyphenyl)6(ethoxycarbonyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)2chlorobenzoicacid
5(5((E)(5(2BROMO45DIMETHOXYPHENYL)6ETHOXYCARBONYL7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)FURAN2YL)2CHLOROBENZOICACID
CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)c(cc1Br)OC)c(=O)c(=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3Br)OC)OC)C(=O)C(=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)C(=O)O)S2)C
InChI=1SC30H24BrClN2O8Sc154129(38)2514(2)333034(26(25)171222(393)23(404)1319(17)31)27(35)24(4330)11167921(4216)156820(32)18(1015)28(36)37h61326H5H214H3(H3637)b2411+
MFCD01460977
ZINC000008424470
ZINC000008424472
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