Vitas-M small molecule compound

methyl 5-methyl-2-[({2-[(3-methyl-1-benzofuran-2-yl)carbonyl]hydrazinyl}carbonothioyl)amino]-4-phenylthiophene-3-carboxylate

Catalog ID
STK456849
SMILES COC(=O)c1c(NC(=S)NNC(=O)c2oc3c(c2C)cccc3)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 C24H21N3O4S2 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4S2/c1-13-16-11-7-8-12-17(16)31-20(13)21(28)26-27-24(32)25-22-19(23(29)30-3)18(14(2)33-22)15-9-5-4-6-10-15/h4-12H,1-3H3,(H,26,28)(H2,25,27,32)
InChIKey
ZAQGRULCDYHLNN-UHFFFAOYSA-N
Synonyms

CC1=C(OC2=CC=CC=C12)C(=O)NNC(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC
InChI=1SC24H21N3O4S2c1131611781217(16)3120(13)21(28)262724(32)252219(23(29)303)18(14(2)3322)1595461015h412H13H3(H2628)(H2252732)
METHYL5METHYL2(((((3METHYLBENZO(D)FURAN2YL)CARBONYLAMINO)AMINO)THIOXOMETHYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
methyl5methyl2(((2((3methyl1benzofuran2yl)carbonyl)hydrazinyl)carbonothioyl)amino)4phenylthiophene3carboxylate
METHYL5METHYL2(((2((3METHYL1BENZOFURAN2YL)CARBONYL)HYDRAZINYL)CARBOTHIOYL)AMINO)4PHENYLTHIOPHENE3CARBOXYLATE
METHYL5METHYL2(((3METHYL1BENZOFURAN2CARBONYL)AMINO)CARBAMOTHIOYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
MFCD04220455
ZINC000002856168
ZINC02856168
ZINC2856168

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Available files

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