Vitas-M small molecule compound

methyl 2-[(3-chlorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

Catalog ID
STK158500
SMILES COC(=O)C1=C(SCC1=O)Nc1cccc(c1)Cl

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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 C12H10ClNO3S MW 283.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10ClNO3S/c1-17-12(16)10-9(15)6-18-11(10)14-8-4-2-3-7(13)5-8/h2-5,14H,6H2,1H3
InChIKey
CHYITTOEASVBPK-UHFFFAOYSA-N
Synonyms
438195-65-4
438195654
COC(=O)C1=C(SCC1=O)NC2=CC(=CC=C2)Cl
InChI=1SC12H10ClNO3Sc11712(16)109(15)61811(10)1484237(13)58h2514H6H21H3
METHYL2((3CHLOROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
METHYL2(3CHLOROANILINO)4OXOTHIOPHENE3CARBOXYLATE
MFCD03073922
ZINC000001413119
ZINC01413119
ZINC1413119

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Available files

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