Vitas-M small molecule compound

(5E)-5-(4-chlorobenzylidene)-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one

Catalog ID
STK839674
SMILES Clc1ccc(cc1)/C=C\1/SC(=NC1=O)N1CCN(CC1)c1ccccc1[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 C20H17ClN4O3S MW 428.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O3S/c21-15-7-5-14(6-8-15)13-18-19(26)22-20(29-18)24-11-9-23(10-12-24)16-3-1-2-4-17(16)25(27)28/h1-8,13H,9-12H2/b18-13+
InChIKey
QTKYMZFFZYMFMJ-QGOAFFKASA-N
Synonyms
370853-29-5
(5E)5((4CHLOROPHENYL)METHYLIDENE)2(4(2NITROPHENYL)PIPERAZIN1YL)13THIAZOL4ONE
(5E)5(4chlorobenzylidene)2(4(2nitrophenyl)piperazin1yl)13thiazol4(5H)one
(E)5(4chlorobenzylidene)2(4(2nitrophenyl)piperazin1yl)thiazol4(5H)one
370853295
C1CN(CCN1C2=CC=CC=C2(N+)(=O)(O))C3=NC(=O)C(=CC4=CC=C(C=C4)Cl)S3
Clc1ccc(cc1)C=C1SC(=NC1=O)N1CCN(CC1)c1ccccc1(N+)(=O)(O)
InChI=1SC20H17ClN4O3Sc21157514(6815)131819(26)2220(2918)2411923(101224)16312417(16)25(27)28h1813H912H2b1813+
MFCD02923377
ZINC000008817778
ZINC08817778
ZINC8817778

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Available files

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