Vitas-M small molecule compound

methyl 4-[({[3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK066968
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nc2c(c1=O)cccc2

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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 C26H23N3O5S MW 489.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5S/c1-3-34-20-14-12-19(13-15-20)29-24(31)21-6-4-5-7-22(21)28-26(29)35-16-23(30)27-18-10-8-17(9-11-18)25(32)33-2/h4-15H,3,16H2,1-2H3,(H,27,30)
InChIKey
VDKQVXXTNBTGEY-UHFFFAOYSA-N
Synonyms
499125-15-4
499125154
CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C(=O)OC
CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc(cc2)C(=O)OC)nc2c(c1=O)cccc2
InChI=1SC26H23N3O5Sc133420141219(131520)2924(31)21645722(21)2826(29)351623(30)271810817(91118)25(32)332h415H316H212H3(H2730)
METHYL4((((3(4ETHOXYPHENYL)4OXO34DIHYDROQUINAZOLIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2(3(4ETHOXYPHENYL)4OXOQUINAZOLIN2YL)SULFANYLACETYL)AMINO)BENZOATE
METHYL4(2((3(4ETHOXYPHENYL)4OXO34DIHYDROQUINAZOLIN2YL)SULFANYL)ACETAMIDO)BENZOATE
methyl4(2((3(4ethoxyphenyl)4oxo34dihydroquinazolin2yl)thio)acetamido)benzoate
METHYL4(2(3(4ETHOXYPHENYL)4OXO3HYDROQUINAZOLIN2YLTHIO)ACETYLAMINO)BENZOATE
MFCD03224437
STK066968
ZINC000001088889
ZINC01088889
ZINC1088889

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Available files

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