Vitas-M small molecule compound
ethyl (2E)-7-methyl-2-[2-(morpholin-4-yl)-5-nitrobenzylidene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL407043
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cc(ccc1N1CCOCC1)[N+](=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 C27H26N4O6S MW 534.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O6S/c1-3-37-26(33)23-17(2)28-27-30(24(23)18-7-5-4-6-8-18)25(32)22(38-27)16-19-15-20(31(34)35)9-10-21(19)29-11-13-36-14-12-29/h4-10,15-16,24H,3,11-14H2,1-2H3/b22-16+InChIKey
QTPOAAYVIQCZEF-CJLVFECKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cc(ccc1N1CCOCC1)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=C(C=CC(=C4)(N+)(=O)(O))N5CCOCC5)S2)C
ethyl(2E)7methyl2((2morpholin4yl5nitrophenyl)methylidene)3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)7methyl2(2(morpholin4yl)5nitrobenzylidene)3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H26N4O6Sc133726(33)2317(2)282730(24(23)187546818)25(32)22(3827)16191520(31(34)35)91021(19)29111336141229h410151624H31114H212H3b2216+
MFCD02624570
ZINC000100306013
ZINC000100306015
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