Vitas-M small molecule compound
3-[({2-[(3-methylbenzyl)sulfanyl]-5-(phenylsulfanyl)pyrimidin-4-yl}carbonyl)amino]benzoic acid
Catalog ID
STL212838
SMILES Cc1cccc(c1)CSc1ncc(c(n1)C(=O)Nc1cccc(c1)C(=O)O)Sc1ccccc1
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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/c1-17-7-5-8-18(13-17)16-33-26-27-15-22(34-21-11-3-2-4-12-21)23(29-26)24(30)28-20-10-6-9-19(14-20)25(31)32/h2-15H,16H2,1H3,(H,28,30)(H,31,32)InChIKey
VTVBJSYKKUMUDI-UHFFFAOYSA-NSynonyms
3(((2((3methylbenzyl)sulfanyl)5(phenylsulfanyl)pyrimidin4yl)carbonyl)amino)benzoicacid
3((2((3methylphenyl)methylsulfanyl)5phenylsulfanylpyrimidine4carbonyl)amino)benzoicacid
CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC(=C3)C(=O)O)SC4=CC=CC=C4
InChI=1SC26H21N3O3S2c11775818(1317)163326271522(3421113241221)23(2926)24(30)2820106919(1420)25(31)32h215H16H21H3(H2830)(H3132)
MFCD14832798
ZINC000015860636
ZINC15860636
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