Vitas-M small molecule compound

methyl 5-benzyl-2-{[(3-methylphenyl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STK451603
SMILES COC(=O)c1cc(sc1NC(=O)c1cccc(c1)C)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 C21H19NO3S MW 365.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO3S/c1-14-7-6-10-16(11-14)19(23)22-20-18(21(24)25-2)13-17(26-20)12-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,22,23)
InChIKey
IPPDJUKMXLVNRI-UHFFFAOYSA-N
Synonyms

CC1=CC=CC(=C1)C(=O)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC
InChI=1SC21H19NO3Sc114761016(1114)19(23)222018(21(24)252)1317(2620)12158435915h31113H12H212H3(H2223)
METHYL2((3METHYLPHENYL)CARBONYLAMINO)5BENZYLTHIOPHENE3CARBOXYLATE
methyl5benzyl2(((3methylphenyl)carbonyl)amino)thiophene3carboxylate
METHYL5BENZYL2((3METHYLBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD03072926
ZINC000002762692
ZINC02762692
ZINC2762692

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Available files

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