Vitas-M small molecule compound
ethyl 2-[3-(2,4-dinitrophenoxy)phenyl]-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK382651
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1cccc(c1)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
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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 C24H21N5O8S MW 539.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O8S/c1-2-36-24(31)27-9-8-16-19(12-27)38-23-20(16)22(30)25-21(26-23)13-4-3-5-15(10-13)37-18-7-6-14(28(32)33)11-17(18)29(34)35/h3-7,10-11,21,26H,2,8-9,12H2,1H3,(H,25,30)InChIKey
MKHRFIWFIOWIEA-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC=C4)OC5=C(C=C(C=C5)(N+)(=O)(O))(N+)(=O)(O)
CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1cccc(c1)Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
ethyl2(3(24dinitrophenoxy)phenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
ethyl2(3(24dinitrophenoxy)phenyl)4oxo134568hexahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
InChI=1SC24H21N5O8Sc123624(31)27981619(1227)382320(16)22(30)2521(2623)1343515(1013)37187614(28(32)33)1117(18)29(34)35h3710112126H28912H21H3(H2530)
MFCD03037649
ZINC000102146229
ZINC000102146234
Check stock
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Check stock on Vitas-MAvailable files
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