Vitas-M small molecule compound
ethyl (2Z)-7-methyl-2-[5-nitro-2-(pyrrolidin-1-yl)benzylidene]-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL506640
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1cc(ccc1N1CCCC1)[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 C27H26N4O5S MW 518.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O5S/c1-3-36-26(33)23-17(2)28-27-30(24(23)18-9-5-4-6-10-18)25(32)22(37-27)16-19-15-20(31(34)35)11-12-21(19)29-13-7-8-14-29/h4-6,9-12,15-16,24H,3,7-8,13-14H2,1-2H3/b22-16-InChIKey
QXOBVYZXWABRFO-JWGURIENSA-NSynonyms
6156472
ethyl(2~(Z))7methyl2((5nitro2pyrrolidin1ylphenyl)methylidene)3oxo5phenyl5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)7methyl2(5nitro2(pyrrolidin1yl)benzylidene)3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H26N4O5Sc133626(33)2317(2)282730(24(23)1895461018)25(32)22(3727)16191520(31(34)35)111221(19)2913781429h46912151624H3781314H212H3b2216
MFCD31614374
ZINC000035189907
ZINC000035189908
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