Vitas-M small molecule compound
ethyl (2Z)-2-[4-(2,4-dinitrophenoxy)benzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522625
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)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 C29H22N4O8S MW 586.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22N4O8S/c1-3-40-28(35)25-17(2)30-29-31(26(25)19-7-5-4-6-8-19)27(34)24(42-29)15-18-9-12-21(13-10-18)41-23-14-11-20(32(36)37)16-22(23)33(38)39/h4-16,26H,3H2,1-2H3/b24-15-InChIKey
STYMIBAFAFNLLF-IWIPYMOSSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(cc1)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))S2)C
ETHYL(2Z)2((4(24DINITROPHENOXY)PHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(4(24dinitrophenoxy)benzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H22N4O8Sc134028(35)2517(2)302931(26(25)197546819)27(34)24(4229)151891221(131018)4123141120(32(36)37)1622(23)33(38)39h41626H3H212H3b2415
MFCD01593273
ZINC000006545170
ZINC000006545172
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Check stock on Vitas-MAvailable files
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