Vitas-M small molecule compound

N-[benzyl(cyclopropylmethyl)carbamothioyl]-3-iodo-4-methoxybenzamide

Catalog ID
STL063958
SMILES COc1ccc(cc1I)C(=O)NC(=S)N(Cc1ccccc1)CC1CC1

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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 C20H21IN2O2S MW 480.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21IN2O2S/c1-25-18-10-9-16(11-17(18)21)19(24)22-20(26)23(13-15-7-8-15)12-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12-13H2,1H3,(H,22,24,26)
InChIKey
FLPPVKHNRXNIGG-UHFFFAOYSA-N
Synonyms

COC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2CC2)CC3=CC=CC=C3)I
InChI=1SC20H21IN2O2Sc1251810916(1117(18)21)19(24)2220(26)23(13157815)12145324614h2691115H781213H21H3(H222426)
MFCD05127557
N(benzyl(cyclopropylmethyl)carbamothioyl)3iodo4methoxybenzamide
NBENZYLN(CYCLOPROPYLMETHYL)N(3IODO4METHOXYBENZOYL)THIOUREA
ZINC000001077669
ZINC01077669
ZINC1077669

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Available files

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