Vitas-M small molecule compound
3-[({[5-(2-chlorobenzyl)-4-hydroxy-6-methylpyrimidin-2-yl]sulfanyl}acetyl)amino]-5-nitrobenzoic acid
Catalog ID
STK328654
SMILES O=C(Nc1cc(cc(c1)C(=O)O)[N+](=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 C21H17ClN4O6S MW 488.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O6S/c1-11-16(8-12-4-2-3-5-17(12)22)19(28)25-21(23-11)33-10-18(27)24-14-6-13(20(29)30)7-15(9-14)26(31)32/h2-7,9H,8,10H2,1H3,(H,24,27)(H,29,30)(H,23,25,28)InChIKey
JBHSQJWDXDKGNN-UHFFFAOYSA-NSynonyms
889947-79-93((((5(2chlorobenzyl)4hydroxy6methylpyrimidin2yl)sulfanyl)acetyl)amino)5nitrobenzoicacid
3((2((5((2CHLOROPHENYL)METHYL)6METHYL4OXO1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)5NITROBENZOICACID
889947799
CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC(=CC(=C2)C(=O)O)(N+)(=O)(O))CC3=CC=CC=C3Cl
InChI=1SC21H17ClN4O6Sc11116(812423517(12)22)19(28)2521(2311)331018(27)2414613(20(29)30)715(914)26(31)32h279H810H21H3(H2427)(H2930)(H232528)
MFCD06617275
O=C(Nc1cc(cc(c1)C(=O)O)(N+)(=O)(O))CSc1nc(C)c(c(n1)O)Cc1ccccc1Cl
ZINC000018191127
ZINC18191127
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