Vitas-M small molecule compound
5-[5-nitro-2-(pyrrolidin-1-yl)benzylidene]-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL367479
SMILES O=C1/C(=C/c2cc(ccc2N2CCCC2)[N+](=O)[O-])/C(=O)N(C(=S)N1c1ccccc1)c1ccccc1
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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 C27H22N4O4S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O4S/c32-25-23(18-19-17-22(31(34)35)13-14-24(19)28-15-7-8-16-28)26(33)30(21-11-5-2-6-12-21)27(36)29(25)20-9-3-1-4-10-20/h1-6,9-14,17-18H,7-8,15-16H2InChIKey
ANJRCHZNXMRKAO-UHFFFAOYSA-NSynonyms
5((5nitro2pyrrolidin1ylphenyl)methylidene)13diphenyl2sulfanylidene13diazinane46dione
5(5nitro2(pyrrolidin1yl)benzylidene)13diphenyl2thioxodihydropyrimidine46(1H5H)dione
C1CCN(C1)C2=C(C=C(C=C2)(N+)(=O)(O))C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC27H22N4O4Sc322523(18191722(31(34)35)131424(19)2815781628)26(33)30(21115261221)27(36)29(25)2093141020h169141718H781516H2
MFCD01617859
O=C1C(=Cc2cc(ccc2N2CCCC2)(N+)(=O)(O))C(=O)N(C(=S)N1c1ccccc1)c1ccccc1
ZINC000059488074
ZINC59488074
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