Vitas-M small molecule compound

4-[(E)-(2-carbamothioylhydrazinylidene)methyl]-2-iodo-6-methoxyphenyl 4-methoxybenzoate

Catalog ID
STK899299
SMILES COc1ccc(cc1)C(=O)Oc1c(I)cc(cc1OC)/C=N/NC(=S)N

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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 C17H16IN3O4S MW 485.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16IN3O4S/c1-23-12-5-3-11(4-6-12)16(22)25-15-13(18)7-10(8-14(15)24-2)9-20-21-17(19)26/h3-9H,1-2H3,(H3,19,21,26)/b20-9+
InChIKey
AHUNBHYCBZIHFQ-AWQFTUOYSA-N
Synonyms
402737-17-1
(4((E)(CARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)2IODO6METHOXYPHENYL)4METHOXYBENZOATE
4((E)(2carbamothioylhydrazinylidene)methyl)2iodo6methoxyphenyl4methoxybenzoate
402737171
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2I)C=NNC(=S)N)OC
COc1ccc(cc1)C(=O)Oc1c(I)cc(cc1OC)C=NNC(=S)N
InChI=1SC17H16IN3O4Sc123125311(4612)16(22)251513(18)710(814(15)242)9202117(19)26h39H12H3(H3192126)b209+
MFCD02604685
ZINC000000657675
ZINC33332925

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Available files

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