Vitas-M small molecule compound
(5Z)-3-(2-chloro-4-fluorobenzyl)-5-{[1-(3-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-thiazolidine-2,4-dione
Catalog ID
STL375955
SMILES Fc1ccc(c(c1)Cl)CN1C(=O)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 C21H13ClFN3O4S MW 457.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClFN3O4S/c22-18-9-14(23)7-6-13(18)12-25-20(27)19(31-21(25)28)11-16-5-2-8-24(16)15-3-1-4-17(10-15)26(29)30/h1-11H,12H2/b19-11-InChIKey
ZDJYLOKTBKZZJC-ODLFYWEKSA-NSynonyms
(5Z)3((2CHLORO4FLUOROPHENYL)METHYL)5((1(3NITROPHENYL)PYRROL2YL)METHYLIDENE)13THIAZOLIDINE24DIONE
(5Z)3(2chloro4fluorobenzyl)5((1(3nitrophenyl)1Hpyrrol2yl)methylidene)13thiazolidine24dione
C1=CC(=CC(=C1)(N+)(=O)(O))N2C=CC=C2C=C3C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)F)Cl
Fc1ccc(c(c1)Cl)CN1C(=O)SC(=Cc2cccn2c2cccc(c2)(N+)(=O)(O))C1=O
InChI=1SC21H13ClFN3O4Sc2218914(23)7613(18)122520(27)19(3121(25)28)111652824(16)1531417(1015)26(29)30h111H12H2b1911
MFCD04311300
ZINC000034931643
ZINC34931643
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