Vitas-M small molecule compound
3-[({2-[(2-methylbenzyl)sulfanyl]-5-(phenylsulfanyl)pyrimidin-4-yl}carbonyl)amino]benzoic acid
Catalog ID
STL213579
SMILES OC(=O)c1cccc(c1)NC(=O)c1nc(ncc1Sc1ccccc1)SCc1ccccc1C
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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 C26H21N3O3S2 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N3O3S2/c1-17-8-5-6-9-19(17)16-33-26-27-15-22(34-21-12-3-2-4-13-21)23(29-26)24(30)28-20-11-7-10-18(14-20)25(31)32/h2-15H,16H2,1H3,(H,28,30)(H,31,32)InChIKey
STBRSSCODJCLFG-UHFFFAOYSA-NSynonyms
3(((2((2methylbenzyl)sulfanyl)5(phenylsulfanyl)pyrimidin4yl)carbonyl)amino)benzoicacid
3((2((2methylphenyl)methylsulfanyl)5phenylsulfanylpyrimidine4carbonyl)amino)benzoicacid
CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC(=C3)C(=O)O)SC4=CC=CC=C4
InChI=1SC26H21N3O3S2c117856919(17)163326271522(3421123241321)23(2926)24(30)28201171018(1420)25(31)32h215H16H21H3(H2830)(H3132)
MFCD14832812
ZINC000021659876
ZINC21659876
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