Vitas-M small molecule compound

N-tert-butyl-3-{1-(1,1-dioxido-1,2-benzothiazol-3-yl)-2-[(2E)-3-phenylprop-2-enoyl]hydrazinyl}propanamide

Catalog ID
STK129485
SMILES O=C(NN(C1=NS(=O)(=O)c2c1cccc2)CCC(=O)NC(C)(C)C)/C=C/c1ccccc1

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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 C23H26N4O4S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O4S/c1-23(2,3)24-20(28)15-16-27(25-21(29)14-13-17-9-5-4-6-10-17)22-18-11-7-8-12-19(18)32(30,31)26-22/h4-14H,15-16H2,1-3H3,(H,24,28)(H,25,29)/b14-13+
InChIKey
HQCPZJBAGBTCAK-BUHFOSPRSA-N
Synonyms

CC(C)(C)NC(=O)CCN(C1=NS(=O)(=O)C2=CC=CC=C21)NC(=O)C=CC3=CC=CC=C3
InChI=1SC23H26N4O4Sc123(23)2420(28)151627(2521(29)14131795461017)221811781219(18)32(3031)2622h414H1516H213H3(H2428)(H2529)b1413+
MFCD02951264
NTERTBUTYL3((11DIOXO12BENZOTHIAZOL3YL)(((E)3PHENYLPROP2ENOYL)AMINO)AMINO)PROPANAMIDE
NTERTBUTYL3(1(11DIOXIDO12BENZOTHIAZOL3YL)2((2E)3PHENYLPROP2ENOYL)HYDRAZINYL)PROPANAMIDE
O=C(NN(C1=NS(=O)(=O)c2c1cccc2)CCC(=O)NC(C)(C)C)C=Cc1ccccc1
ZINC000009849763
ZINC09849763
ZINC9849763

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Available files

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