Vitas-M small molecule compound
ethyl 2-(4-chloro-3-nitrophenyl)-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK382653
SMILES CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C18H17ClN4O5S MW 436.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN4O5S/c1-2-28-18(25)22-6-5-10-13(8-22)29-17-14(10)16(24)20-15(21-17)9-3-4-11(19)12(7-9)23(26)27/h3-4,7,15,21H,2,5-6,8H2,1H3,(H,20,24)InChIKey
KJVWYNKVGACABQ-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
CCOC(=O)N1CCc2c(C1)sc1c2C(=O)NC(N1)c1ccc(c(c1)(N+)(=O)(O))Cl
ethyl2(4chloro3nitrophenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
ethyl2(4chloro3nitrophenyl)4oxo134568hexahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
InChI=1SC18H17ClN4O5Sc122818(25)22651013(822)291714(10)16(24)2015(2117)93411(19)12(79)23(26)27h3471521H2568H21H3(H2024)
MFCD03037651
ZINC000008874885
ZINC000008874887
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