Vitas-M small molecule compound

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

Catalog ID
STK555486
SMILES O=C1N=C(S/C/1=C\c1ccccc1Cl)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 C20H17ClN4O3S MW 428.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O3S/c21-17-4-2-1-3-14(17)13-18-19(26)22-20(29-18)24-11-9-23(10-12-24)15-5-7-16(8-6-15)25(27)28/h1-8,13H,9-12H2/b18-13-
InChIKey
DVVXKVIIEMGOKE-AQTBWJFISA-N
Synonyms
672936-05-9
(5Z)5((2CHLOROPHENYL)METHYLIDENE)2(4(4NITROPHENYL)PIPERAZIN1YL)13THIAZOL4ONE
(5Z)5(2chlorobenzylidene)2(4(4nitrophenyl)piperazin1yl)13thiazol4(5H)one
(Z)5(2chlorobenzylidene)2(4(4nitrophenyl)piperazin1yl)thiazol4(5H)one
672936059
C1CN(CCN1C2=CC=C(C=C2)(N+)(=O)(O))C3=NC(=O)C(=CC4=CC=CC=C4Cl)S3
InChI=1SC20H17ClN4O3Sc2117421314(17)131819(26)2220(2918)2411923(101224)155716(8615)25(27)28h1813H912H2b1813
MFCD04011568
O=C1N=C(SC1=Cc1ccccc1Cl)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
ZINC000009312902
ZINC09312902
ZINC9312902

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Available files

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