Vitas-M small molecule compound
2-chloro-4-(5-{(E)-[6-(ethoxycarbonyl)-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STL508351
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccc(o1)c1ccc(c(c1)Cl)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 C28H21ClN2O6S MW 549.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O6S/c1-3-36-27(35)23-15(2)30-28-31(24(23)16-7-5-4-6-8-16)25(32)22(38-28)14-18-10-12-21(37-18)17-9-11-19(26(33)34)20(29)13-17/h4-14,24H,3H2,1-2H3,(H,33,34)/b22-14+InChIKey
LMQOGRJBSXAZPW-HYARGMPZSA-NSynonyms
21169534
2chloro4(5((~(E))(6ethoxycarbonyl7methyl3oxo5phenyl5~(H)(13)thiazolo(32a)pyrimidin2ylidene)methyl)furan2yl)benzoicacid
2chloro4(5((E)(6(ethoxycarbonyl)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidin2(3H)ylidene)methyl)furan2yl)benzoicacid
InChI=1SC28H21ClN2O6Sc133627(35)2315(2)302831(24(23)167546816)25(32)22(3828)1418101221(3718)1791119(26(33)34)20(29)1317h41424H3H212H3(H3334)b2214+
MFCD04083502
ZINC000100263378
ZINC000100263383
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