Vitas-M small molecule compound
N-[N-(6-{[(4-methylphenyl)sulfanyl]methyl}-4-oxo-1,4-dihydropyrimidin-2-yl)-N'-(naphthalen-1-yl)carbamimidoyl]-2-phenylbutanamide
Catalog ID
STL038515
SMILES CCC(c1ccccc1)C(=O)N/C(=N\c1cccc2c1cccc2)/Nc1nc(=O)cc([nH]1)CSc1ccc(cc1)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 C33H31N5O2S MW 561.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N5O2S/c1-3-27(23-10-5-4-6-11-23)31(40)37-33(35-29-15-9-13-24-12-7-8-14-28(24)29)38-32-34-25(20-30(39)36-32)21-41-26-18-16-22(2)17-19-26/h4-20,27H,3,21H2,1-2H3,(H3,34,35,36,37,38,39,40)InChIKey
ILSLPBQIRDZGAG-UHFFFAOYSA-NSynonyms
CCC(C1=CC=CC=C1)C(=O)N=C(NC2=CC=CC3=CC=CC=C32)NC4=NC(=O)C=C(N4)CSC5=CC=C(C=C5)C
CCC(c1ccccc1)C(=O)NC(=Nc1cccc2c1cccc2)Nc1nc(=O)cc((nH)1)CSc1ccc(cc1)C
InChI=1SC33H31N5O2Sc1327(23105461123)31(40)3733(3529159132412781428(24)29)38323425(2030(39)3632)214126181622(2)171926h42027H321H212H3(H334353637383940)
MFCD04081490
N(((6((4METHYLPHENYL)SULFANYLMETHYL)4OXO1HPYRIMIDIN2YL)AMINO)(NAPHTHALEN1YLAMINO)METHYLIDENE)2PHENYLBUTANAMIDE
N(N(6(((4methylphenyl)sulfanyl)methyl)4oxo14dihydropyrimidin2yl)N(naphthalen1yl)carbamimidoyl)2phenylbutanamide
ZINC000005928232
ZINC000017821078
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