Vitas-M small molecule compound

N-{[2-(butan-2-yl)phenyl]carbamothioyl}-3,4,5-triethoxybenzamide

Catalog ID
STK892615
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccccc1C(CC)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 C24H32N2O4S MW 444.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32N2O4S/c1-6-16(5)18-12-10-11-13-19(18)25-24(31)26-23(27)17-14-20(28-7-2)22(30-9-4)21(15-17)29-8-3/h10-16H,6-9H2,1-5H3,(H2,25,26,27,31)
InChIKey
FABWLPUHVFYVBC-UHFFFAOYSA-N
Synonyms

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C(=C2)OCC)OCC)OCC
InChI=1SC24H32N2O4Sc1616(5)181210111319(18)2524(31)2623(27)171420(2872)22(3094)21(1517)2983h1016H69H215H3(H225262731)
MFCD06007002
N((2(butan2yl)phenyl)carbamothioyl)345triethoxybenzamide
N((2BUTAN2YLPHENYL)CARBAMOTHIOYL)345TRIETHOXYBENZAMIDE
ZINC000016426445
ZINC000016426448

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Available files

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