Vitas-M small molecule compound
3-{3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK698036
SMILES NC(=S)N/N=C/c1cc(n(c1C)c1cccc(c1)C(=O)O)C
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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 C15H16N4O2S MW 316.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O2S/c1-9-6-12(8-17-18-15(16)22)10(2)19(9)13-5-3-4-11(7-13)14(20)21/h3-8H,1-2H3,(H,20,21)(H3,16,18,22)/b17-8+InChIKey
GUMVDLMEVPIDFS-CAOOACKPSA-NSynonyms
810695-73-9(E)3(3((2carbamothioylhydrazono)methyl)25dimethyl1Hpyrrol1yl)benzoicacid
3(3((E)(2carbamothioylhydrazinylidene)methyl)25dimethyl1Hpyrrol1yl)benzoicacid
3(3((E)(carbamothioylhydrazinylidene)methyl)25dimethylpyrrol1yl)benzoicacid
810695739
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=NNC(=S)N
InChI=1SC15H16N4O2Sc19612(8171815(16)22)10(2)19(9)1353411(713)14(20)21h38H12H3(H2021)(H3161822)b178+
MFCD05815940
NC(=S)NN=Cc1cc(n(c1C)c1cccc(c1)C(=O)O)C
ZINC000005925970
ZINC33326345
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