Vitas-M small molecule compound

(2Z,5Z)-2-({4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}imino)-5-(5-chloro-3-methyl-1,3-benzothiazol-2(3H)-ylidene)-3-cyclohexyl-1,3-thiazolidin-4-one

Catalog ID
STK382881
SMILES CCC(c1cc(ccc1OCCCC/N=C/1\S/C(=c/2\sc3c(n2C)cc(cc3)Cl)/C(=O)N1C1CCCCC1)C(CC)(C)C)(C)C

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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 C37H50ClN3O2S2 MW 668.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H50ClN3O2S2/c1-8-36(3,4)25-17-19-30(28(23-25)37(5,6)9-2)43-22-14-13-21-39-35-41(27-15-11-10-12-16-27)33(42)32(45-35)34-40(7)29-24-26(38)18-20-31(29)44-34/h17-20,23-24,27H,8-16,21-22H2,1-7H3/b34-32-,39-35-
InChIKey
CBVJEJKJUOPLRE-VBKJNVIJSA-N
Synonyms

(2Z5Z)2((4(24bis(2methylbutan2yl)phenoxy)butyl)imino)5(5chloro3methyl13benzothiazol2(3H)ylidene)3cyclohexyl13thiazolidin4one
CCC(c1cc(ccc1OCCCCN=C1SC(=c2sc3c(n2C)cc(cc3)Cl)C(=O)N1C1CCCCC1)C(CC)(C)C)(C)C
MFCD03037337
ZINC000004108310

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Available files

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