Vitas-M small molecule compound

3-{2-[(4-butoxyphenyl)carbonyl]-1-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinyl}-N-tert-butylpropanamide

Catalog ID
STK060784
SMILES CCCCOc1ccc(cc1)C(=O)NN(C1=NS(=O)(=O)c2c1cccc2)CCC(=O)NC(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 C25H32N4O5S MW 500.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O5S/c1-5-6-17-34-19-13-11-18(12-14-19)24(31)27-29(16-15-22(30)26-25(2,3)4)23-20-9-7-8-10-21(20)35(32,33)28-23/h7-14H,5-6,15-17H2,1-4H3,(H,26,30)(H,27,31)
InChIKey
DFZUHQBUKHNZEJ-UHFFFAOYSA-N
Synonyms

3(((4BUTOXYBENZOYL)AMINO)(11DIOXO12BENZOTHIAZOL3YL)AMINO)NTERTBUTYLPROPANAMIDE
3(2((4BUTOXYPHENYL)CARBONYL)1(11DIOXIDO12BENZOTHIAZOL3YL)HYDRAZINYL)NTERTBUTYLPROPANAMIDE
3(2(4BUTOXYBENZOYL)1(11DIOXIDO12BENZISOTHIAZOL3YL)HYDRAZINO)N(TERTBUTYL)PROPANAMIDE
CCCCOC1=CC=C(C=C1)C(=O)NN(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)C3=CC=CC=C32
CCCCOc1ccc(cc1)C(=O)NN(C1=NS(=O)(=O)c2c1cccc2)CCC(=O)NC(C)(C)C
InChI=1SC25H32N4O5Sc156173419131118(121419)24(31)2729(161522(30)2625(23)4)23209781021(20)35(3233)2823h714H561517H214H3(H2630)(H2731)
MFCD02950858
STK060784
ZINC000009553519
ZINC09553519
ZINC9553519

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Available files

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