Vitas-M small molecule compound

methyl 5-methyl-2-[({2-[(naphthalen-1-yloxy)acetyl]hydrazinyl}carbonothioyl)amino]-4-phenylthiophene-3-carboxylate

Catalog ID
STK436002
SMILES COC(=O)c1c(NC(=S)NNC(=O)COc2cccc3c2cccc3)sc(c1c1ccccc1)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 C26H23N3O4S2 MW 505.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4S2/c1-16-22(18-10-4-3-5-11-18)23(25(31)32-2)24(35-16)27-26(34)29-28-21(30)15-33-20-14-8-12-17-9-6-7-13-19(17)20/h3-14H,15H2,1-2H3,(H,28,30)(H2,27,29,34)
InChIKey
XAJCAWBGIXHHDE-UHFFFAOYSA-N
Synonyms

CC1=C(C(=C(S1)NC(=S)NNC(=O)COC2=CC=CC3=CC=CC=C32)C(=O)OC)C4=CC=CC=C4
InChI=1SC26H23N3O4S2c11622(18104351118)23(25(31)322)24(3516)2726(34)292821(30)15332014812179671319(17)20h314H15H212H3(H2830)(H2272934)
METHYL5METHYL2((((2NAPHTHYLOXYACETYLAMINO)AMINO)THIOXOMETHYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
methyl5methyl2(((2((naphthalen1yloxy)acetyl)hydrazinyl)carbonothioyl)amino)4phenylthiophene3carboxylate
METHYL5METHYL2(((2NAPHTHALEN1YLOXYACETYL)AMINO)CARBAMOTHIOYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
MFCD03944411
ZINC000020294085
ZINC20294085

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Available files

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