Vitas-M small molecule compound

(2E)-N-[(4-iodo-2-methylphenyl)carbamothioyl]-3-phenylprop-2-enamide

Catalog ID
STK148483
SMILES S=C(Nc1ccc(cc1C)I)NC(=O)/C=C/c1ccccc1

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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 C17H15IN2OS MW 422.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15IN2OS/c1-12-11-14(18)8-9-15(12)19-17(22)20-16(21)10-7-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,21,22)/b10-7+
InChIKey
RDQIMIHBKAQDCH-JXMROGBWSA-N
Synonyms

(2E)N((4IODO2METHYLPHENYL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
(E)N((4IODO2METHYLPHENYL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
CC1=C(C=CC(=C1)I)NC(=S)NC(=O)C=CC2=CC=CC=C2
InChI=1SC17H15IN2OSc1121114(18)8915(12)1917(22)2016(21)107135324613h211H1H3(H219202122)b107+
MFCD03228433
S=C(Nc1ccc(cc1C)I)NC(=O)C=Cc1ccccc1
ZINC000009601688
ZINC09601688
ZINC9601688

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Available files

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