Vitas-M small molecule compound

(5Z)-5-[(2Z)-2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]-3-(4-ethoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STL337063
SMILES CCOc1ccc(cc1)N1C(=S)S/C(=C\C(=C\c2ccc(cc2)[N+](=O)[O-])\Cl)/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 C20H15ClN2O4S2 MW 446.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN2O4S2/c1-2-27-17-9-7-15(8-10-17)22-19(24)18(29-20(22)28)12-14(21)11-13-3-5-16(6-4-13)23(25)26/h3-12H,2H2,1H3/b14-11-,18-12-
InChIKey
OTSSQERMYHTYLH-UOEQGAKJSA-N
Synonyms
299950-40-6
(5Z)5((2Z)2chloro3(4nitrophenyl)prop2en1ylidene)3(4ethoxyphenyl)2thioxo13thiazolidin4one
(5Z)5((Z)2CHLORO3(4NITROPHENYL)PROP2ENYLIDENE)3(4ETHOXYPHENYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((Z)2chloro3(4nitrophenyl)allylidene)3(4ethoxyphenyl)2thioxothiazolidin4one
299950406
5((2Z)2CHLORO3(4NITROPHENYL)PROP2ENYLIDENE)3(4ETHOXYPHENYL)2THIOXO13THIAZOLIDIN4ONE
CCOC1=CC=C(C=C1)N2C(=O)C(=CC(=CC3=CC=C(C=C3)(N+)(=O)(O))Cl)SC2=S
CCOc1ccc(cc1)N1C(=S)SC(=CC(=Cc2ccc(cc2)(N+)(=O)(O))Cl)C1=O
InChI=1SC20H15ClN2O4S2c1227179715(81017)2219(24)18(2920(22)28)1214(21)11133516(6413)23(25)26h312H2H21H3b14111812
MFCD00588801
ZINC000002202436
ZINC02202436
ZINC2202436

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Available files

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