Vitas-M small molecule compound

(5E)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK094937
SMILES COc1ccc(cc1)N1C(=S)S/C(=C/c2ccc(o2)c2cc(ccc2Cl)[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 C21H13ClN2O5S2 MW 472.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClN2O5S2/c1-28-14-5-2-12(3-6-14)23-20(25)19(31-21(23)30)11-15-7-9-18(29-15)16-10-13(24(26)27)4-8-17(16)22/h2-11H,1H3/b19-11+
InChIKey
KJBMPSLPCKBFNQ-YBFXNURJSA-N
Synonyms

(5E)5((5(2CHLORO5NITROPHENYL)FURAN2YL)METHYLIDENE)3(4METHOXYPHENYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5((5(2CHLORO5NITROPHENYL)FURAN2YL)METHYLIDENE)3(4METHOXYPHENYL)2THIOXO13THIAZOLIDIN4ONE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)SC2=S
COc1ccc(cc1)N1C(=S)SC(=Cc2ccc(o2)c2cc(ccc2Cl)(N+)(=O)(O))C1=O
InChI=1SC21H13ClN2O5S2c128145212(3614)2320(25)19(3121(23)30)11157918(2915)161013(24(26)27)4817(16)22h211H1H3b1911+
MFCD01590982
STK094937
ZINC000006645250
ZINC06645250
ZINC6645250

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Available files

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