Vitas-M small molecule compound

ethyl (2Z)-2-[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK522623
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C/c1ccc(c(c1)OC)Oc1ccc(cc1[N+](=O)[O-])[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 C30H24N4O9S MW 616.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N4O9S/c1-4-42-29(36)26-17(2)31-30-32(27(26)19-8-6-5-7-9-19)28(35)25(44-30)15-18-10-12-23(24(14-18)41-3)43-22-13-11-20(33(37)38)16-21(22)34(39)40/h5-16,27H,4H2,1-3H3/b25-15-
InChIKey
KYFUZTFZFVBVRG-MYYYXRDXSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(c(c1)OC)Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC(=C(C=C4)OC5=C(C=C(C=C5)(N+)(=O)(O))(N+)(=O)(O))OC)S2)C
ETHYL(2Z)2((4(24DINITROPHENOXY)3METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(4(24dinitrophenoxy)3methoxybenzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC30H24N4O9Sc144229(36)2617(2)313032(27(26)198657919)28(35)25(4430)1518101223(24(1418)413)4322131120(33(37)38)1621(22)34(39)40h51627H4H213H3b2515
MFCD01593284
ZINC000101019452
ZINC000101019454

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.