Vitas-M small molecule compound

(2E)-N-[2-({2-[(2,6-diethylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]-3-phenylprop-2-enamide

Catalog ID
STK029024
SMILES CCc1cccc(c1NC(=O)CSc1sc2c(n1)ccc(c2)NC(=O)/C=C/c1ccccc1)CC

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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 C28H27N3O2S2 MW 501.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O2S2/c1-3-20-11-8-12-21(4-2)27(20)31-26(33)18-34-28-30-23-15-14-22(17-24(23)35-28)29-25(32)16-13-19-9-6-5-7-10-19/h5-17H,3-4,18H2,1-2H3,(H,29,32)(H,31,33)/b16-13+
InChIKey
QTYOKABVEZRWCP-DTQAZKPQSA-N
Synonyms
311765-45-4
(2E)N(2((2((26DIETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)13BENZOTHIAZOL6YL)3PHENYLPROP2ENAMIDE
(2E)N(2((N(26DIETHYLPHENYL)CARBAMOYL)METHYLTHIO)BENZOTHIAZOL6YL)3PHENYLPROP2ENAMIDE
(E)N(2(2(26DIETHYLANILINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)3PHENYLPROP2ENAMIDE
311765454
CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C=CC4=CC=CC=C4
CCc1cccc(c1NC(=O)CSc1sc2c(n1)ccc(c2)NC(=O)C=Cc1ccccc1)CC
InChI=1SC28H27N3O2S2c13201181221(42)27(20)3126(33)1834283023151422(1724(23)3528)2925(32)16131996571019h517H3418H212H3(H2932)(H3133)b1613+
MFCD00762655
N(2((2((26diethylphenyl)amino)2oxoethyl)thio)benzo(d)thiazol6yl)cinnamamide
STK029024
ZINC000002222738
ZINC02222738
ZINC2222738

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Available files

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