Vitas-M small molecule compound
(5E)-5-{[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(3-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL418950
SMILES COc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/SC(=S)N(C1=O)c1cccc(c1)[N+](=O)[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 C23H19N3O4S2 MW 465.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O4S2/c1-14-11-16(15(2)24(14)17-7-9-20(30-3)10-8-17)12-21-22(27)25(23(31)32-21)18-5-4-6-19(13-18)26(28)29/h4-13H,1-3H3/b21-12+InChIKey
VFHXNHBWZCAOPR-CIAFOILYSA-NSynonyms
(5E)5((1(4methoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)3(3nitrophenyl)2thioxo13thiazolidin4one
(5E)5((1(4METHOXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)3(3NITROPHENYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C3C(=O)N(C(=S)S3)C4=CC(=CC=C4)(N+)(=O)(O)
COc1ccc(cc1)n1c(C)cc(c1C)C=C1SC(=S)N(C1=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC23H19N3O4S2c1141116(15(2)24(14)177920(303)10817)122122(27)25(23(31)3221)1854619(1318)26(28)29h413H13H3b2112+
MFCD03706434
ZINC000001140135
ZINC01140135
ZINC1140135
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