Vitas-M small molecule compound
ethyl 2-(4-{[(4-nitrophenyl)carbonyl]oxy}phenyl)-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK382143
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(cc1)OC(=O)c1ccc(cc1)[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 C25H22N4O7S MW 522.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O7S/c1-2-35-25(32)28-12-11-18-19(13-28)37-23-20(18)22(30)26-21(27-23)14-5-9-17(10-6-14)36-24(31)15-3-7-16(8-4-15)29(33)34/h3-10,21,27H,2,11-13H2,1H3,(H,26,30)InChIKey
LOKXNVJKPPCNGN-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)(N+)(=O)(O)
CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(cc1)OC(=O)c1ccc(cc1)(N+)(=O)(O)
ethyl2(4(((4nitrophenyl)carbonyl)oxy)phenyl)4oxo134568hexahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
ethyl2(4(4nitrobenzoyl)oxyphenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
InChI=1SC25H22N4O7Sc123525(32)2812111819(1328)372320(18)22(30)2621(2723)145917(10614)3624(31)153716(8415)29(33)34h3102127H21113H21H3(H2630)
MFCD02915455
ZINC000102080043
ZINC000102080047
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