Vitas-M small molecule compound

N-{[5-(butan-2-yl)-2-hydroxyphenyl]carbamothioyl}naphthalene-2-carboxamide

Catalog ID
STK174045
SMILES CCC(c1ccc(c(c1)NC(=S)NC(=O)c1ccc2c(c1)cccc2)O)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 C22H22N2O2S MW 378.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O2S/c1-3-14(2)16-10-11-20(25)19(13-16)23-22(27)24-21(26)18-9-8-15-6-4-5-7-17(15)12-18/h4-14,25H,3H2,1-2H3,(H2,23,24,26,27)
InChIKey
MRTZQBLXLOOUBI-UHFFFAOYSA-N
Synonyms

CCC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC3=CC=CC=C3C=C2
InChI=1SC22H22N2O2Sc1314(2)16101120(25)19(1316)2322(27)2421(26)189815645717(15)1218h41425H3H212H3(H223242627)
MFCD03564126
N((5(BUTAN2YL)2HYDROXYPHENYL)CARBAMOTHIOYL)NAPHTHALENE2CARBOXAMIDE
N((5BUTAN2YL2HYDROXYPHENYL)CARBAMOTHIOYL)NAPHTHALENE2CARBOXAMIDE
N(5SECBUTYL2HYDROXYPHENYL)N(2NAPHTHOYL)THIOUREA
ZINC000000678821
ZINC000000678822

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Available files

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