Vitas-M small molecule compound
4-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate
Catalog ID
STK811516
SMILES Cc1ccc(cc1)CN1C(=S)S/C(=C\c2ccc(cc2)OC(=O)c2ccc(cc2)[N+](=O)[O-])/C1=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 C25H18N2O5S2 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N2O5S2/c1-16-2-4-18(5-3-16)15-26-23(28)22(34-25(26)33)14-17-6-12-21(13-7-17)32-24(29)19-8-10-20(11-9-19)27(30)31/h2-14H,15H2,1H3/b22-14-InChIKey
XRVXCOVDMFNCJF-HMAPJEAMSA-NSynonyms
(4((Z)(3((4METHYLPHENYL)METHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4NITROBENZOATE
4((Z)(3(4methylbenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl4nitrobenzoate
CC1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O))SC2=S
Cc1ccc(cc1)CN1C(=S)SC(=Cc2ccc(cc2)OC(=O)c2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC25H18N2O5S2c1162418(5316)152623(28)22(3425(26)33)141761221(13717)3224(29)1981020(11919)27(30)31h214H15H21H3b2214
MFCD03713004
ZINC000002811911
ZINC02811911
ZINC2811911
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