Vitas-M small molecule compound
3-{3-[(E)-{2-[(4-iodo-3-methoxyphenyl)carbonyl]hydrazinylidene}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-methylbenzoic acid
Catalog ID
STK198162
SMILES COc1cc(ccc1I)C(=O)N/N=C/c1cc(n(c1C)c1cccc(c1C)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 C23H22IN3O4 MW 531.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22IN3O4/c1-13-10-17(12-25-26-22(28)16-8-9-19(24)21(11-16)31-4)15(3)27(13)20-7-5-6-18(14(20)2)23(29)30/h5-12H,1-4H3,(H,26,28)(H,29,30)/b25-12+InChIKey
JXTNADDOGSVLMN-BRJLIKDPSA-NSynonyms
3(3((E)((4iodo3methoxybenzoyl)hydrazinylidene)methyl)25dimethylpyrrol1yl)2methylbenzoicacid
3(3((E)(2((4IODO3METHOXYPHENYL)CARBONYL)HYDRAZINYLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOICACID
CC1=CC(=C(N1C2=CC=CC(=C2C)C(=O)O)C)C=NNC(=O)C3=CC(=C(C=C3)I)OC
COc1cc(ccc1I)C(=O)NN=Cc1cc(n(c1C)c1cccc(c1C)C(=O)O)C
InChI=1SC23H22IN3O4c1131017(12252622(28)168919(24)21(1116)314)15(3)27(13)2075618(14(20)2)23(29)30h512H14H3(H2628)(H2930)b2512+
MFCD02623794
ZINC000001091143
ZINC101749203
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