Vitas-M small molecule compound

N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]naphthalene-1-carboxamide

Catalog ID
STK172871
SMILES S=C(Nc1cc(cc(c1O)Cl)C(C)(C)C)NC(=O)c1cccc2c1cccc2

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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 C22H21ClN2O2S MW 412.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O2S/c1-22(2,3)14-11-17(23)19(26)18(12-14)24-21(28)25-20(27)16-10-6-8-13-7-4-5-9-15(13)16/h4-12,26H,1-3H3,(H2,24,25,27,28)
InChIKey
RHYSGVFKRWJQJP-UHFFFAOYSA-N
Synonyms

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32
InChI=1SC22H21ClN2O2Sc122(23)141117(23)19(26)18(1214)2421(28)2520(27)16106813745915(13)16h41226H13H3(H224252728)
MFCD02923362
N((5TERTBUTYL3CHLORO2HYDROXYPHENYL)CARBAMOTHIOYL)NAPHTHALENE1CARBOXAMIDE
ZINC000002856448
ZINC02856448
ZINC2856448

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Available files

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