Vitas-M small molecule compound
ethyl (2Z)-2-[4-(2,4-dinitrophenoxy)benzylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522634
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1ccc(cc1)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)19-7-12-21(41-3)13-8-19)28(35)25(44-30)15-18-5-10-22(11-6-18)43-24-14-9-20(33(37)38)16-23(24)34(39)40/h5-16,27H,4H2,1-3H3/b25-15-InChIKey
ZHKHYCCEVOIRRU-MYYYXRDXSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(cc1)Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC=C(C=C4)OC5=C(C=C(C=C5)(N+)(=O)(O))(N+)(=O)(O))S2)C
ETHYL(2Z)2((4(24DINITROPHENOXY)PHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(4(24dinitrophenoxy)benzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC30H24N4O9Sc144229(36)2617(2)313032(27(26)1971221(413)13819)28(35)25(4430)151851022(11618)432414920(33(37)38)1623(24)34(39)40h51627H4H213H3b2515
MFCD01592586
ZINC000006545169
ZINC000006545171
Check stock
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Check stock on Vitas-MAvailable files
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