Vitas-M small molecule compound
(5Z)-3-(4-methoxybenzyl)-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL378315
SMILES COc1ccc(cc1)CN1C(=S)S/C(=C\c2cccn2c2cccc(c2)[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 C22H17N3O4S2 MW 451.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S2/c1-29-19-9-7-15(8-10-19)14-24-21(26)20(31-22(24)30)13-17-6-3-11-23(17)16-4-2-5-18(12-16)25(27)28/h2-13H,14H2,1H3/b20-13-InChIKey
ZDAKKEDJWVSMNK-MOSHPQCFSA-NSynonyms
(5Z)3((4METHOXYPHENYL)METHYL)5((1(3NITROPHENYL)PYRROL2YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3(4methoxybenzyl)5((1(3nitrophenyl)1Hpyrrol2yl)methylidene)2thioxo13thiazolidin4one
COC1=CC=C(C=C1)CN2C(=O)C(=CC3=CC=CN3C4=CC(=CC=C4)(N+)(=O)(O))SC2=S
COc1ccc(cc1)CN1C(=S)SC(=Cc2cccn2c2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC22H17N3O4S2c129199715(81019)142421(26)20(3122(24)30)1317631123(17)1642518(1216)25(27)28h213H14H21H3b2013
MFCD03705121
ZINC000001166769
ZINC01166769
ZINC1166769
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