Vitas-M small molecule compound

butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate

Catalog ID
STK148276
SMILES CCCCOC(=O)c1ccc(cc1)NC(=S)NC(=O)Cc1ccccc1

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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 C20H22N2O3S MW 370.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S/c1-2-3-13-25-19(24)16-9-11-17(12-10-16)21-20(26)22-18(23)14-15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3,(H2,21,22,23,26)
InChIKey
UOVOWYBVVYQWAP-UHFFFAOYSA-N
Synonyms

BUTYL4(((PHENYLACETYL)CARBAMOTHIOYL)AMINO)BENZOATE
BUTYL4((2PHENYLACETYL)CARBAMOTHIOYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2
InChI=1SC20H22N2O3Sc123132519(24)1691117(121016)2120(26)2218(23)14157546815h412H231314H21H3(H221222326)
MFCD03030853
ZINC000002847937
ZINC02847937
ZINC2847937

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Available files

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