Vitas-M small molecule compound
ethyl (2E)-7-methyl-2-{[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene}-5-(naphthalen-1-yl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL388449
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc3c1cccc3)c(=O)/c(=C\c1ccc(o1)N1CCN(CC1)C)/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 C30H30N4O4S MW 542.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O4S/c1-4-37-29(36)26-19(2)31-30-34(27(26)23-11-7-9-20-8-5-6-10-22(20)23)28(35)24(39-30)18-21-12-13-25(38-21)33-16-14-32(3)15-17-33/h5-13,18,27H,4,14-17H2,1-3H3/b24-18+InChIKey
YECUKQPCOXNICM-HKOYGPOVSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccc3c1cccc3)c(=O)c(=Cc1ccc(o1)N1CCN(CC1)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC4=CC=CC=C43)C(=O)C(=CC5=CC=C(O5)N6CCN(CC6)C)S2)C
ethyl(2E)7methyl2((5(4methylpiperazin1yl)furan2yl)methylidene)5(naphthalen1yl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)7methyl2((5(4methylpiperazin1yl)furan2yl)methylidene)5naphthalen1yl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC30H30N4O4Sc143729(36)2619(2)313034(27(26)231179208561022(20)23)28(35)24(3930)1821121325(3821)33161432(3)151733h5131827H41417H213H3b2418+
MFCD06615194
ZINC000104230636
ZINC000104230641
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