Vitas-M small molecule compound
ethyl (2E)-5-(4-chlorophenyl)-2-{[5-(4-methylpiperazin-1-yl)furan-2-yl]methylidene}-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL444706
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1ccc(o1)N1CCN(CC1)C)/s2)c1ccccc1
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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 C31H29ClN4O4S MW 589.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29ClN4O4S/c1-3-39-30(38)26-27(20-7-5-4-6-8-20)33-31-36(28(26)21-9-11-22(32)12-10-21)29(37)24(41-31)19-23-13-14-25(40-23)35-17-15-34(2)16-18-35/h4-14,19,28H,3,15-18H2,1-2H3/b24-19+InChIKey
LCQKOODRDZWLKY-LYBHJNIJSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccc(o1)N1CCN(CC1)C)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC=C(O4)N5CCN(CC5)C)S2)C6=CC=CC=C6
ethyl(2E)5(4chlorophenyl)2((5(4methylpiperazin1yl)furan2yl)methylidene)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4chlorophenyl)2((5(4methylpiperazin1yl)furan2yl)methylidene)3oxo7phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC31H29ClN4O4Sc133930(38)2627(207546820)333136(28(26)2191122(32)121021)29(37)24(4131)1923131425(4023)35171534(2)161835h4141928H31518H212H3b2419+
MFCD06239339
ZINC000008767096
ZINC000008767099
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