Vitas-M small molecule compound

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

Catalog ID
STK868657
SMILES S=C1S/C(=C/c2ccc(cc2)OC(=O)c2ccc(cc2)[N+](=O)[O-])/C(=O)N1Cc1ccccc1

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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 C24H16N2O5S2 MW 476.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N2O5S2/c27-22-21(33-24(32)25(22)15-17-4-2-1-3-5-17)14-16-6-12-20(13-7-16)31-23(28)18-8-10-19(11-9-18)26(29)30/h1-14H,15H2/b21-14+
InChIKey
SBJQQKZBFUJBSR-KGENOOAVSA-N
Synonyms

(4((E)(3BENZYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4NITROBENZOATE
4((E)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl4nitrobenzoate
C1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O))SC2=S
InChI=1SC24H16N2O5S2c272221(3324(32)25(22)15174213517)141661220(13716)3123(28)1881019(11918)26(29)30h114H15H2b2114+
MFCD01963386
S=C1SC(=Cc2ccc(cc2)OC(=O)c2ccc(cc2)(N+)(=O)(O))C(=O)N1Cc1ccccc1
ZINC000009296463
ZINC09296463
ZINC9296463

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Available files

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