Vitas-M small molecule compound
4-(3-{[N'-(3-chloro-4-methylphenyl)-N-methylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Catalog ID
STK957373
SMILES CN/C(=N\c1ccc(c(c1)Cl)C)/SC1CC(=O)N(C1=O)c1ccc(cc1)C(=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 C20H18ClN3O4S MW 431.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O4S/c1-11-3-6-13(9-15(11)21)23-20(22-2)29-16-10-17(25)24(18(16)26)14-7-4-12(5-8-14)19(27)28/h3-9,16H,10H2,1-2H3,(H,22,23)(H,27,28)InChIKey
MCXNRHZZGYJCDS-UHFFFAOYSA-NSynonyms
351417-30-6351417306
4(3((N(3chloro4methylphenyl)Nmethylcarbamimidoyl)sulfanyl)25dioxopyrrolidin1yl)benzoicacid
4(3(N(3chloro4methylphenyl)Nmethylcarbamimidoyl)sulfanyl25dioxopyrrolidin1yl)benzoicacid
CC1=C(C=C(C=C1)NC(=NC)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)Cl
CNC(=Nc1ccc(c(c1)Cl)C)SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)O
InChI=1SC20H18ClN3O4Sc1113613(915(11)21)2320(222)29161017(25)24(18(16)26)147412(5814)19(27)28h3916H10H212H3(H2223)(H2728)
MFCD01447922
ZINC000002738967
ZINC000008430192
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