Vitas-M small molecule compound

N-[(5E)-5-{3,5-dichloro-4-[(4-methylbenzyl)oxy]benzylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]acetamide

Catalog ID
STK108599
SMILES CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)C)/S1

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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 C20H16Cl2N2O3S MW 435.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl2N2O3S/c1-11-3-5-13(6-4-11)10-27-18-15(21)7-14(8-16(18)22)9-17-19(26)24-20(28-17)23-12(2)25/h3-9H,10H2,1-2H3,(H,23,24,25,26)/b17-9+
InChIKey
SSBFRCIXLMWLNY-RQZCQDPDSA-N
Synonyms

CC(=O)NC1=NC(=O)C(=Cc2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)C)S1
CC1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)C=C3C(=O)N=C(S3)NC(=O)C)Cl
InChI=1SC20H16Cl2N2O3Sc1113513(6411)10271815(21)714(816(18)22)91719(26)2420(2817)2312(2)25h39H10H212H3(H23242526)b179+
MFCD04126556
N((5E)5((35DICHLORO4((4METHYLPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXO13THIAZOL2YL)ACETAMIDE
N((5E)5(35DICHLORO4((4METHYLBENZYL)OXY)BENZYLIDENE)4OXO45DIHYDRO13THIAZOL2YL)ACETAMIDE
ZINC000009763090
ZINC09763090
ZINC9763090

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.