Vitas-M small molecule compound
(5Z)-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-(furan-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL368820
SMILES S=C1S/C(=C\c2cc(n(c2C)c2ccc(cc2)[N+](=O)[O-])C)/C(=O)N1Cc1ccco1
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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 C21H17N3O4S2 MW 439.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4S2/c1-13-10-15(14(2)23(13)16-5-7-17(8-6-16)24(26)27)11-19-20(25)22(21(29)30-19)12-18-4-3-9-28-18/h3-11H,12H2,1-2H3/b19-11-InChIKey
IFAQWIDFWBAVOW-ODLFYWEKSA-NSynonyms
(5Z)5((25dimethyl1(4nitrophenyl)1Hpyrrol3yl)methylidene)3(furan2ylmethyl)2thioxo13thiazolidin4one
(5Z)5((25DIMETHYL1(4NITROPHENYL)PYRROL3YL)METHYLIDENE)3(FURAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CC1=CC(=C(N1C2=CC=C(C=C2)(N+)(=O)(O))C)C=C3C(=O)N(C(=S)S3)CC4=CC=CO4
InChI=1SC21H17N3O4S2c1131015(14(2)23(13)165717(8616)24(26)27)111920(25)22(21(29)3019)12184392818h311H12H212H3b1911
MFCD03713958
S=C1SC(=Cc2cc(n(c2C)c2ccc(cc2)(N+)(=O)(O))C)C(=O)N1Cc1ccco1
ZINC000001150404
ZINC01150404
ZINC1150404
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