Vitas-M small molecule compound

N-cyclohexyl-3-[(2E)-1-(1,1-dioxido-1,2-benzothiazol-3-yl)-2-(naphthalen-1-ylmethylidene)hydrazinyl]propanamide

Catalog ID
STK115175
SMILES O=C(NC1CCCCC1)CCN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1cccc2c1cccc2

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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 C27H28N4O3S MW 488.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3S/c32-26(29-22-12-2-1-3-13-22)17-18-31(27-24-15-6-7-16-25(24)35(33,34)30-27)28-19-21-11-8-10-20-9-4-5-14-23(20)21/h4-11,14-16,19,22H,1-3,12-13,17-18H2,(H,29,32)/b28-19+
InChIKey
GBNQZAHBMXBXKA-TURZUDJPSA-N
Synonyms

C1CCC(CC1)NC(=O)CCN(C2=NS(=O)(=O)C3=CC=CC=C32)N=CC4=CC=CC5=CC=CC=C54
InChI=1SC27H28N4O3Sc3226(2922122131322)171831(272415671625(24)35(3334)3027)28192111810209451423(20)21h41114161922H1312131718H2(H2932)b2819+
MFCD03215116
Ncyclohexyl3((11dioxo12benzothiazol3yl)((E)naphthalen1ylmethylideneamino)amino)propanamide
NCYCLOHEXYL3((2E)1(11DIOXIDO12BENZOTHIAZOL3YL)2(NAPHTHALEN1YLMETHYLIDENE)HYDRAZINYL)PROPANAMIDE
O=C(NC1CCCCC1)CCN(C1=NS(=O)(=O)c2c1cccc2)N=Cc1cccc2c1cccc2
ZINC000012628833
ZINC96640198

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Available files

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