Vitas-M small molecule compound

(2E)-N-[(2-{[2-(propan-2-yl)phenoxy]acetyl}hydrazinyl)carbonothioyl]-3-(thiophen-2-yl)prop-2-enamide

Catalog ID
STK122340
SMILES O=C(COc1ccccc1C(C)C)NNC(=S)NC(=O)/C=C/c1cccs1

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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 C19H21N3O3S2 MW 403.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O3S2/c1-13(2)15-7-3-4-8-16(15)25-12-18(24)21-22-19(26)20-17(23)10-9-14-6-5-11-27-14/h3-11,13H,12H2,1-2H3,(H,21,24)(H2,20,22,23,26)/b10-9+
InChIKey
ITHKXCXCVYRUDN-MDZDMXLPSA-N
Synonyms

(2E)N(((2(2(METHYLETHYL)PHENOXY)ACETYLAMINO)AMINO)THIOXOMETHYL)3(2THIENYL)PROP2ENAMIDE
(2E)N((2((2(PROPAN2YL)PHENOXY)ACETYL)HYDRAZINYL)CARBONOTHIOYL)3(THIOPHEN2YL)PROP2ENAMIDE
(E)N(((2(2PROPAN2YLPHENOXY)ACETYL)AMINO)CARBAMOTHIOYL)3THIOPHEN2YLPROP2ENAMIDE
CC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C=CC2=CC=CS2
InChI=1SC19H21N3O3S2c113(2)15734816(15)251218(24)212219(26)2017(23)1091465112714h31113H12H212H3(H2124)(H220222326)b109+
MFCD03629783
O=C(COc1ccccc1C(C)C)NNC(=S)NC(=O)C=Cc1cccs1
ZINC000004698885
ZINC04698885
ZINC4698885

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Available files

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