Vitas-M small molecule compound
4-[(E)-(2-carbamothioylhydrazinylidene)methyl]-2-iodo-6-methoxyphenyl benzoate
Catalog ID
STK400599
SMILES COc1cc(/C=N/NC(=S)N)cc(c1OC(=O)c1ccccc1)I
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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 C16H14IN3O3S MW 455.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14IN3O3S/c1-22-13-8-10(9-19-20-16(18)24)7-12(17)14(13)23-15(21)11-5-3-2-4-6-11/h2-9H,1H3,(H3,18,20,24)/b19-9+InChIKey
ZCVWERBJFDNDNE-DJKKODMXSA-NSynonyms
444998-80-5(4((E)(CARBAMOTHIOYLHYDRAZINYLIDENE)METHYL)2IODO6METHOXYPHENYL)BENZOATE
4((E)(2carbamothioylhydrazinylidene)methyl)2iodo6methoxyphenylbenzoate
4(2(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)2IODO6METHOXYPHENYLBENZOATE
444998805
COC1=C(C(=CC(=C1)C=NNC(=S)N)I)OC(=O)C2=CC=CC=C2
COc1cc(C=NNC(=S)N)cc(c1OC(=O)c1ccccc1)I
InChI=1SC16H14IN3O3Sc12213810(9192016(18)24)712(17)14(13)2315(21)115324611h29H1H3(H3182024)b199+
MFCD02257191
ZINC000000663081
ZINC33333209
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