Vitas-M small molecule compound

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

Catalog ID
STK557847
SMILES O=C1N=C(S/C/1=C\c1ccccc1Cl)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/c21-15-6-2-1-5-14(15)13-18-19(26)22-20(29-18)24-11-9-23(10-12-24)16-7-3-4-8-17(16)25(27)28/h1-8,13H,9-12H2/b18-13-
InChIKey
FAVBBYSXLBXXLD-AQTBWJFISA-N
Synonyms
585553-32-8
(5Z)5((2CHLOROPHENYL)METHYLIDENE)2(4(2NITROPHENYL)PIPERAZIN1YL)13THIAZOL4ONE
(5Z)5(2chlorobenzylidene)2(4(2nitrophenyl)piperazin1yl)13thiazol4(5H)one
(Z)5(2chlorobenzylidene)2(4(2nitrophenyl)piperazin1yl)thiazol4(5H)one
585553328
C1CN(CCN1C2=CC=CC=C2(N+)(=O)(O))C3=NC(=O)C(=CC4=CC=CC=C4Cl)S3
InChI=1SC20H17ClN4O3Sc2115621514(15)131819(26)2220(2918)2411923(101224)16734817(16)25(27)28h1813H912H2b1813
MFCD04028179
O=C1N=C(SC1=Cc1ccccc1Cl)N1CCN(CC1)c1ccccc1(N+)(=O)(O)
ZINC000009363530
ZINC09363530
ZINC9363530

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Available files

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