Vitas-M small molecule compound
4-[({[5-(2-chlorobenzyl)-4-hydroxy-6-methylpyrimidin-2-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STK328763
SMILES O=C(Nc1ccc(cc1)C(=O)O)CSc1nc(C)c(c(n1)O)Cc1ccccc1Cl
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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 C21H18ClN3O4S MW 443.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O4S/c1-12-16(10-14-4-2-3-5-17(14)22)19(27)25-21(23-12)30-11-18(26)24-15-8-6-13(7-9-15)20(28)29/h2-9H,10-11H2,1H3,(H,24,26)(H,28,29)(H,23,25,27)InChIKey
YTTMNNBZWNJHOK-UHFFFAOYSA-NSynonyms
727688-54-24((((5(2chlorobenzyl)4hydroxy6methylpyrimidin2yl)sulfanyl)acetyl)amino)benzoicacid
4((2((5((2CHLOROPHENYL)METHYL)6METHYL4OXO1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)BENZOICACID
727688542
CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)O)CC3=CC=CC=C3Cl
InChI=1SC21H18ClN3O4Sc11216(1014423517(14)22)19(27)2521(2312)301118(26)24158613(7915)20(28)29h29H1011H21H3(H2426)(H2829)(H232527)
MFCD06014599
ZINC000018191180
ZINC18191180
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