Vitas-M small molecule compound
ethyl 4-(3-nitrophenyl)-2-oxo-6-(thiomorpholin-4-ylmethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK777408
SMILES CCOC(=O)C1=C(CN2CCSCC2)NC(=O)NC1c1cccc(c1)[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 C18H22N4O5S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O5S/c1-2-27-17(23)15-14(11-21-6-8-28-9-7-21)19-18(24)20-16(15)12-4-3-5-13(10-12)22(25)26/h3-5,10,16H,2,6-9,11H2,1H3,(H2,19,20,24)InChIKey
JARWUGJIHRBVCI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CN2CCSCC2)NC(=O)NC1c1cccc(c1)(N+)(=O)(O)
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)(N+)(=O)(O))CN3CCSCC3
ethyl4(3nitrophenyl)2oxo6(thiomorpholin4ylmethyl)1234tetrahydropyrimidine5carboxylate
ETHYL4(3NITROPHENYL)2OXO6(THIOMORPHOLIN4YLMETHYL)34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC18H22N4O5Sc122717(23)1514(112168289721)1918(24)2016(15)1243513(1012)22(25)26h351016H26911H21H3(H2192024)
MFCD05260512
ZINC000019858488
ZINC000019858490
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