Vitas-M small molecule compound
3-[3-({imino[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]methyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid
Catalog ID
STK373370
SMILES N=C(SC1CC(=O)N(C1=O)c1cccc(c1)C(=O)O)N/N=C/c1ccnc2c1cccc2
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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 C22H17N5O4S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O4S/c23-22(26-25-12-14-8-9-24-17-7-2-1-6-16(14)17)32-18-11-19(28)27(20(18)29)15-5-3-4-13(10-15)21(30)31/h1-10,12,18H,11H2,(H2,23,26)(H,30,31)/b25-12+InChIKey
PYOFBVIVYWUAKH-BRJLIKDPSA-NSynonyms
3(25dioxo3((E)N((E)quinolin4ylmethylideneamino)carbamimidoyl)sulfanylpyrrolidin1yl)benzoicacid
3(3((((1E)2(4QUINOLYL)1AZAVINYL)AMINO)IMINOMETHYLTHIO)25DIOXOAZOLIDINYL)BENZOICACID
3(3((imino((2E)2(quinolin4ylmethylidene)hydrazinyl)methyl)sulfanyl)25dioxopyrrolidin1yl)benzoicacid
C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(=O)O)SC(=NN=CC3=CC=NC4=CC=CC=C34)N
InChI=1SC22H17N5O4Sc2322(26251214892417721616(14)17)32181119(28)27(20(18)29)1553413(1015)21(30)31h1101218H11H2(H22326)(H3031)b2512+
MFCD00574292
N=C(SC1CC(=O)N(C1=O)c1cccc(c1)C(=O)O)NN=Cc1ccnc2c1cccc2
ZINC000019285684
ZINC000095398232
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