Vitas-M small molecule compound

2-{(E)-[2-({[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid

Catalog ID
STK569110
SMILES O=C(CSc1nc2ccccc2c(=O)n1c1ccccc1C)N/N=C/c1ccccc1C(=O)O

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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 C25H20N4O4S MW 472.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O4S/c1-16-8-2-7-13-21(16)29-23(31)19-11-5-6-12-20(19)27-25(29)34-15-22(30)28-26-14-17-9-3-4-10-18(17)24(32)33/h2-14H,15H2,1H3,(H,28,30)(H,32,33)/b26-14+
InChIKey
RHSDDPVYUAMBML-VULFUBBASA-N
Synonyms
612811-71-9
(E)2((2(2((4oxo3(otolyl)34dihydroquinazolin2yl)thio)acetyl)hydrazono)methyl)benzoicacid
2((1E)2(2(3(2METHYLPHENYL)4OXO(3HYDROQUINAZOLIN2YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOICACID
2((E)((2(3(2METHYLPHENYL)4OXOQUINAZOLIN2YL)SULFANYLACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
2((E)(2(((3(2methylphenyl)4oxo34dihydroquinazolin2yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoicacid
612811719
CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=CC=C4C(=O)O
InChI=1SC25H20N4O4Sc1168271321(16)2923(31)1911561220(19)2725(29)341522(30)282614179341018(17)24(32)33h214H15H21H3(H2830)(H3233)b2614+
MFCD03218953
O=C(CSc1nc2ccccc2c(=O)n1c1ccccc1C)NN=Cc1ccccc1C(=O)O
ZINC000001278786
ZINC33332566

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Available files

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