Vitas-M small molecule compound
(2E,9E)-9-(4-ethoxybenzylidene)-5-(4-ethoxyphenyl)-2-(3-nitrobenzylidene)-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-3(2H)-one
Catalog ID
STL115176
SMILES CCOc1ccc(cc1)C1C2=C(N=c3n1c(=O)/c(=C\c1cccc(c1)[N+](=O)[O-])/s3)/C(=C/c1ccc(cc1)OCC)/CCC2
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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 C34H31N3O5S MW 593.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31N3O5S/c1-3-41-27-15-11-22(12-16-27)19-25-8-6-10-29-31(25)35-34-36(32(29)24-13-17-28(18-14-24)42-4-2)33(38)30(43-34)21-23-7-5-9-26(20-23)37(39)40/h5,7,9,11-21,32H,3-4,6,8,10H2,1-2H3/b25-19+,30-21+InChIKey
DCAYBBNFLNYKAP-ZNZJSCOGSA-NSynonyms
(2E9E)5(4ethoxyphenyl)9((4ethoxyphenyl)methylidene)2((3nitrophenyl)methylidene)5678tetrahydro(13)thiazolo(23b)quinazolin3one
(2E9E)9(4ethoxybenzylidene)5(4ethoxyphenyl)2(3nitrobenzylidene)6789tetrahydro5H(13)thiazolo(23b)quinazolin3(2H)one
CCOC1=CC=C(C=C1)C=C2CCCC3=C2N=C4N(C3C5=CC=C(C=C5)OCC)C(=O)C(=CC6=CC(=CC=C6)(N+)(=O)(O))S4
CCOc1ccc(cc1)C1C2=C(N=c3n1c(=O)c(=Cc1cccc(c1)(N+)(=O)(O))s3)C(=Cc1ccc(cc1)OCC)CCC2
InChI=1SC34H31N3O5Sc134127151122(121627)192586102931(25)353436(32(29)24131728(181424)4242)33(38)30(4334)212375926(2023)37(39)40h579112132H346810H212H3b2519+3021+
MFCD06326231
ZINC000006234193
ZINC000102901970
Check stock
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