Vitas-M small molecule compound

N-(tert-butylcarbamothioyl)-3-iodo-4-methoxybenzamide

Catalog ID
STK125364
SMILES COc1ccc(cc1I)C(=O)NC(=S)NC(C)(C)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 C13H17IN2O2S MW 392.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17IN2O2S/c1-13(2,3)16-12(19)15-11(17)8-5-6-10(18-4)9(14)7-8/h5-7H,1-4H3,(H2,15,16,17,19)
InChIKey
WIRNNBDJRMLEHK-UHFFFAOYSA-N
Synonyms

CC(C)(C)NC(=S)NC(=O)C1=CC(=C(C=C1)OC)I
InChI=1SC13H17IN2O2Sc113(23)1612(19)1511(17)85610(184)9(14)78h57H14H3(H215161719)
MFCD03587927
N(TERTBUTYL)N(3IODO4METHOXYBENZOYL)THIOUREA
N(TERTBUTYLCARBAMOTHIOYL)3IODO4METHOXYBENZAMIDE
ZINC000000675681
ZINC00675681
ZINC675681

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Available files

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