Vitas-M small molecule compound
3-(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)benzoic acid
Catalog ID
STK661650
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)c(cc1Br)OC)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 C30H25BrN2O8S MW 653.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25BrN2O8S/c1-5-40-29(37)25-15(2)32-30-33(26(25)19-13-22(38-3)23(39-4)14-20(19)31)27(34)24(42-30)12-18-9-10-21(41-18)16-7-6-8-17(11-16)28(35)36/h6-14,26H,5H2,1-4H3,(H,35,36)/b24-12+InChIKey
ZOYFQDSRAOSRQI-WYMPLXKRSA-NSynonyms
3(5((E)(5(2bromo45dimethoxyphenyl)6(ethoxycarbonyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)benzoicacid
3(5((E)(5(2bromo45dimethoxyphenyl)6ethoxycarbonyl7methyl3oxo5H(13)thiazolo(32a)pyrimidin2ylidene)methyl)furan2yl)benzoicacid
CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)c(cc1Br)OC)c(=O)c(=Cc1ccc(o1)c1cccc(c1)C(=O)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3Br)OC)OC)C(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)S2)C
InChI=1SC30H25BrN2O8Sc154029(37)2515(2)323033(26(25)191322(383)23(394)1420(19)31)27(34)24(4230)121891021(4118)1676817(1116)28(35)36h61426H5H214H3(H3536)b2412+
MFCD02190061
ZINC000097968633
ZINC000097968634
Check stock
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Check stock on Vitas-MAvailable files
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