Vitas-M small molecule compound

methyl 4-[(E)-(4-oxo-3-phenyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzoate

Catalog ID
STK032799
SMILES COC(=O)c1ccc(cc1)/C=C\1/SC(=S)N(C1=O)c1ccccc1

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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 C18H13NO3S2 MW 355.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13NO3S2/c1-22-17(21)13-9-7-12(8-10-13)11-15-16(20)19(18(23)24-15)14-5-3-2-4-6-14/h2-11H,1H3/b15-11+
InChIKey
DJPNZSHBSNJBID-RVDMUPIBSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC=C3
COC(=O)c1ccc(cc1)C=C1SC(=S)N(C1=O)c1ccccc1
InChI=1SC18H13NO3S2c12217(21)139712(81013)111516(20)19(18(23)2415)145324614h211H1H3b1511+
METHYL4((E)(4OXO3PHENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)BENZOATE
METHYL4((E)(4OXO3PHENYL2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)BENZOATE
MFCD01963501
STK032799
ZINC000001238466
ZINC01238466
ZINC1238466

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Available files

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