Vitas-M small molecule compound

2-methoxy-6-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl thiophene-2-carboxylate

Catalog ID
STL367489
SMILES COc1cccc(c1OC(=O)c1cccs1)/C=C\1/SC(=S)NC1=O

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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 C16H11NO4S3 MW 377.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11NO4S3/c1-20-10-5-2-4-9(8-12-14(18)17-16(22)24-12)13(10)21-15(19)11-6-3-7-23-11/h2-8H,1H3,(H,17,18,22)/b12-8+
InChIKey
NJQPJPRVTVGWFR-XYOKQWHBSA-N
Synonyms

(2methoxy6((E)(4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenyl)thiophene2carboxylate
2methoxy6((E)(4oxo2thioxo13thiazolidin5ylidene)methyl)phenylthiophene2carboxylate
COC1=CC=CC(=C1OC(=O)C2=CC=CS2)C=C3C(=O)NC(=S)S3
COc1cccc(c1OC(=O)c1cccs1)C=C1SC(=S)NC1=O
InChI=1SC16H11NO4S3c120105249(81214(18)1716(22)2412)13(10)2115(19)116372311h28H1H3(H171822)b128+
MFCD28951825
ZINC000098086295
ZINC98086295

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Available files

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