Vitas-M small molecule compound

2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide

Catalog ID
STK121781
SMILES N#Cc1c(=O)[nH]c(nc1c1cccc(c1)OC)SCC(=O)Nc1ccc(cc1)S(=O)(=O)N

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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 C20H17N5O5S2 MW 471.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O5S2/c1-30-14-4-2-3-12(9-14)18-16(10-21)19(27)25-20(24-18)31-11-17(26)23-13-5-7-15(8-6-13)32(22,28)29/h2-9H,11H2,1H3,(H,23,26)(H2,22,28,29)(H,24,25,27)
InChIKey
MFBIUOFKXQKEGQ-UHFFFAOYSA-N
Synonyms
440109-20-6
2((5CYANO4(3METHOXYPHENYL)6OXO16DIHYDROPYRIMIDIN2YL)SULFANYL)N(4SULFAMOYLPHENYL)ACETAMIDE
2((5CYANO4(3METHOXYPHENYL)6OXO1HPYRIMIDIN2YL)SULFANYL)N(4SULFAMOYLPHENYL)ACETAMIDE
2((5CYANO6(3METHOXYPHENYL)4OXO1HPYRIMIDIN2YL)SULFANYL)N(4SULFAMOYLPHENYL)ACETAMIDE
440109206
COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C#N
InChI=1SC20H17N5O5S2c1301442312(914)1816(1021)19(27)2520(2418)311117(26)23135715(8613)32(2228)29h29H11H21H3(H2326)(H2222829)(H242527)
MFCD02056372
N#Cc1c(=O)(nH)c(nc1c1cccc(c1)OC)SCC(=O)Nc1ccc(cc1)S(=O)(=O)N
PYRIMIDINONECONTAININGCOMPOUND10
ZINC000002995601
ZINC2995601

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.