Vitas-M small molecule compound
2-chloro-5-(5-{(E)-[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-(thiophen-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK674577
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)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 C26H19ClN2O6S2 MW 555.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O6S2/c1-3-34-25(33)21-13(2)28-26-29(22(21)19-5-4-10-36-19)23(30)20(37-26)12-15-7-9-18(35-15)14-6-8-17(27)16(11-14)24(31)32/h4-12,22H,3H2,1-2H3,(H,31,32)/b20-12+InChIKey
CFMMMZNECRULQY-UDWIEESQSA-NSynonyms
2chloro5(5((E)(6(ethoxycarbonyl)7methyl3oxo5(thiophen2yl)5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)benzoicacid
2CHLORO5(5((E)(6ETHOXYCARBONYL7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDIN2YLIDENE)METHYL)FURAN2YL)BENZOICACID
CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)C(=O)O)S2)C
InChI=1SC26H19ClN2O6S2c133425(33)2113(2)282629(22(21)1954103619)23(30)20(3726)12157918(3515)146817(27)16(1114)24(31)32h41222H3H212H3(H3132)b2012+
MFCD01415012
ZINC000100069351
ZINC000100069353
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