Vitas-M small molecule compound
3-(5-{(Z)-[2-(benzylcarbamothioyl)hydrazinylidene]methyl}furan-2-yl)-2-methylbenzoic acid
Catalog ID
STL380245
SMILES S=C(NCc1ccccc1)N/N=C\c1ccc(o1)c1cccc(c1C)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 C21H19N3O3S MW 393.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O3S/c1-14-17(8-5-9-18(14)20(25)26)19-11-10-16(27-19)13-23-24-21(28)22-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,25,26)(H2,22,24,28)/b23-13-InChIKey
BSSPSRIKKQUUER-QRVIBDJDSA-NSynonyms
3(5((Z)(2(benzylcarbamothioyl)hydrazinylidene)methyl)furan2yl)2methylbenzoicacid
3(5((Z)(BENZYLCARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)FURAN2YL)2METHYLBENZOICACID
CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=NNC(=S)NCC3=CC=CC=C3
InChI=1SC21H19N3O3Sc11417(85918(14)20(25)26)19111016(2719)13232421(28)2212156324715h21113H12H21H3(H2526)(H2222428)b2313
MFCD28951049
S=C(NCc1ccccc1)NN=Cc1ccc(o1)c1cccc(c1C)C(=O)O
ZINC000033759095
ZINC9233450
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