Vitas-M small molecule compound
ethyl 6-{[(2,5-dichlorophenyl)sulfanyl]methyl}-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK683645
SMILES CCOC(=O)C1=C(CSc2cc(Cl)ccc2Cl)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 C20H17Cl2N3O5S MW 482.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2N3O5S/c1-2-30-19(26)17-15(10-31-16-9-12(21)6-7-14(16)22)23-20(27)24-18(17)11-4-3-5-13(8-11)25(28)29/h3-9,18H,2,10H2,1H3,(H2,23,24,27)InChIKey
QUFWRJRXMSGILR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CSc2cc(Cl)ccc2Cl)NC(=O)NC1c1cccc(c1)(N+)(=O)(O)
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)(N+)(=O)(O))CSC3=C(C=CC(=C3)Cl)Cl
ethyl6(((25dichlorophenyl)sulfanyl)methyl)4(3nitrophenyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL6((25DICHLOROPHENYL)SULFANYLMETHYL)4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC20H17Cl2N3O5Sc123019(26)1715(103116912(21)6714(16)22)2320(27)2418(17)1143513(811)25(28)29h3918H210H21H3(H2232427)
MFCD05258458
ZINC000001422928
ZINC000001422929
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