Vitas-M small molecule compound

methyl 4-[({2-[(3-iodo-4-methoxyphenyl)carbonyl]hydrazinyl}carbonothioyl)amino]-4-oxobutanoate

Catalog ID
STK133200
SMILES COC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(c(c1)I)OC

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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 C14H16IN3O5S MW 465.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16IN3O5S/c1-22-10-4-3-8(7-9(10)15)13(21)17-18-14(24)16-11(19)5-6-12(20)23-2/h3-4,7H,5-6H2,1-2H3,(H,17,21)(H2,16,18,19,24)
InChIKey
UYUJRXUUVCPTRO-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCC(=O)OC)I
InChI=1SC14H16IN3O5Sc12210438(79(10)15)13(21)171814(24)1611(19)5612(20)232h347H56H212H3(H1721)(H216181924)
METHYL4(((2((3IODO4METHOXYPHENYL)CARBONYL)HYDRAZINYL)CARBONOTHIOYL)AMINO)4OXOBUTANOATE
METHYL4(((3IODO4METHOXYBENZOYL)AMINO)CARBAMOTHIOYLAMINO)4OXOBUTANOATE
MFCD03591755
ZINC000002551580
ZINC02551580
ZINC2551580

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.