Vitas-M small molecule compound

methyl 4-[(thiocyanatoacetyl)amino]benzoate

Catalog ID
STL387878
SMILES COC(=O)c1ccc(cc1)NC(=O)CSC#N

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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 C11H10N2O3S MW 250.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10N2O3S/c1-16-11(15)8-2-4-9(5-3-8)13-10(14)6-17-7-12/h2-5H,6H2,1H3,(H,13,14)
InChIKey
ZESPWXAIJZSXSN-UHFFFAOYSA-N
Synonyms
1798723-08-6
1798723086
COC(=O)C1=CC=C(C=C1)NC(=O)CSC#N
InChI=1SC11H10N2O3Sc11611(15)8249(538)1310(14)617712h25H6H21H3(H1314)
METHYL4(((CYANOSULFANYL)ACETYL)AMINO)BENZOATE
methyl4((2thiocyanatoacetyl)amino)benzoate
METHYL4((THIOCYANATOACETYL)AMINO)BENZOATE
MFCD28143092
ZINC000098063978
ZINC98063978

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Available files

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