Vitas-M small molecule compound
ethyl 6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL107627
SMILES CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)NC1c1ccc(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 C21H26N4O7 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O7/c1-2-30-19(26)17-16(13-24-9-7-21(8-10-24)31-11-12-32-21)22-20(27)23-18(17)14-3-5-15(6-4-14)25(28)29/h3-6,18H,2,7-13H2,1H3,(H2,22,23,27)InChIKey
AJYODRQWECQSCX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)NC1c1ccc(cc1)(N+)(=O)(O)
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)(N+)(=O)(O))CN3CCC4(CC3)OCCO4
ethyl6(14dioxa8azaspiro(45)dec8ylmethyl)4(4nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6(14dioxa8azaspiro(45)decan8ylmethyl)4(4nitrophenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC21H26N4O7c123019(26)1716(13249721(81024)3111123221)2220(27)2318(17)143515(6414)25(28)29h3618H2713H21H3(H2222327)
MFCD20741560
ZINC000067286267
ZINC000067286270
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