Vitas-M small molecule compound
(5E)-1-[4-(butan-2-yl)phenyl]-5-{4-[(4-nitrobenzyl)oxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK109077
SMILES CCC(c1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(cc2)OCc2ccc(cc2)[N+](=O)[O-])/C1=O)C
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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 C28H25N3O5S MW 515.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O5S/c1-3-18(2)21-8-12-22(13-9-21)30-27(33)25(26(32)29-28(30)37)16-19-6-14-24(15-7-19)36-17-20-4-10-23(11-5-20)31(34)35/h4-16,18H,3,17H2,1-2H3,(H,29,32,37)/b25-16+InChIKey
ZZIVOHDFFXQQIO-PCLIKHOPSA-NSynonyms
(5E)1(4(BUTAN2YL)PHENYL)5(4((4NITROBENZYL)OXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(4BUTAN2YLPHENYL)5((4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CCC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)OCC4=CC=C(C=C4)(N+)(=O)(O))C(=O)NC2=S
CCC(c1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(cc2)OCc2ccc(cc2)(N+)(=O)(O))C1=O)C
InChI=1SC28H25N3O5Sc1318(2)2181222(13921)3027(33)25(26(32)2928(30)37)161961424(15719)36172041023(11520)31(34)35h41618H317H212H3(H293237)b2516+
MFCD02192558
ZINC000009295832
ZINC000009295833
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