Vitas-M small molecule compound

methyl 2-[({2-[(2-chloro-4-fluorophenoxy)acetyl]hydrazinyl}carbonothioyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate

Catalog ID
STK436004
SMILES COC(=O)c1c(NC(=S)NNC(=O)COc2ccc(cc2Cl)F)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 C22H19ClFN3O4S2 MW 507.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClFN3O4S2/c1-12-18(13-6-4-3-5-7-13)19(21(29)30-2)20(33-12)25-22(32)27-26-17(28)11-31-16-9-8-14(24)10-15(16)23/h3-10H,11H2,1-2H3,(H,26,28)(H2,25,27,32)
InChIKey
QGZUGVDOZSOKOD-UHFFFAOYSA-N
Synonyms

CC1=C(C(=C(S1)NC(=S)NNC(=O)COC2=C(C=C(C=C2)F)Cl)C(=O)OC)C3=CC=CC=C3
InChI=1SC22H19ClFN3O4S2c11218(136435713)19(21(29)302)20(3312)2522(32)272617(28)1131169814(24)1015(16)23h310H11H212H3(H2628)(H2252732)
METHYL2((((2(2CHLORO4FLUOROPHENOXY)ACETYLAMINO)AMINO)THIOXOMETHYL)AMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
methyl2(((2((2chloro4fluorophenoxy)acetyl)hydrazinyl)carbonothioyl)amino)5methyl4phenylthiophene3carboxylate
METHYL2(((2(2CHLORO4FLUOROPHENOXY)ACETYL)AMINO)CARBAMOTHIOYLAMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
MFCD03944413
ZINC000020294078
ZINC20294078

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Available files

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