Vitas-M small molecule compound

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

Catalog ID
STL005989
SMILES O=C1N=C(S/C/1=C\c1ccccc1O)N1CCN(CC1)c1ccc(cc1)[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 C20H18N4O4S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4S/c25-17-4-2-1-3-14(17)13-18-19(26)21-20(29-18)23-11-9-22(10-12-23)15-5-7-16(8-6-15)24(27)28/h1-8,13,25H,9-12H2/b18-13-
InChIKey
AIRGHPVBQNHECC-AQTBWJFISA-N
Synonyms
847369-07-7
(5Z)5((2HYDROXYPHENYL)METHYLIDENE)2(4(4NITROPHENYL)PIPERAZIN1YL)13THIAZOL4ONE
(5Z)5(2hydroxybenzylidene)2(4(4nitrophenyl)piperazin1yl)13thiazol4(5H)one
(Z)5(2hydroxybenzylidene)2(4(4nitrophenyl)piperazin1yl)thiazol4(5H)one
2((Z)(2(4(4NITROPHENYL)PIPERAZIN4IUM1YL)4OXO13THIAZOL5YLIDENE)METHYL)PHENOLATE
847369077
C1CN(CC(NH+)1C2=CC=C(C=C2)(N+)(=O)(O))C3=NC(=O)C(=CC4=CC=CC=C4(O))S3
InChI=1SC20H18N4O4Sc2517421314(17)131819(26)2120(2918)2311922(101223)155716(8615)24(27)28h181325H912H2b1813
MFCD04181017
O=C1N=C(SC1=Cc1ccccc1O)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000005163100
ZINC05163100
ZINC5163100

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Available files

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