Vitas-M small molecule compound

N-(1,2-dihydroacenaphthylen-5-yl)-2-[(6-{[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamide

Catalog ID
STK124374
SMILES O=C(Nc1ccc2c3c1cccc3CC2)CSc1sc2c(n1)ccc(c2)Nc1nc(nc(n1)N1CCOCC1)N1CCOCC1

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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 C32H32N8O3S2 MW 640.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N8O3S2/c41-27(34-24-8-6-21-5-4-20-2-1-3-23(24)28(20)21)19-44-32-35-25-9-7-22(18-26(25)45-32)33-29-36-30(39-10-14-42-15-11-39)38-31(37-29)40-12-16-43-17-13-40/h1-3,6-9,18H,4-5,10-17,19H2,(H,34,41)(H,33,36,37,38)
InChIKey
HAFIEXXIJZSBKL-UHFFFAOYSA-N
Synonyms

C1CC2=CC=CC3=C(C=CC1=C23)NC(=O)CSC4=NC5=C(S4)C=C(C=C5)NC6=NC(=NC(=N6)N7CCOCC7)N8CCOCC8
InChI=1SC32H32N8O3S2c4127(34248621542021323(24)28(20)21)19443235259722(1826(25)4532)33293630(39101442151139)3831(3729)40121643171340h136918H45101719H2(H3441)(H33363738)
MFCD03355704
N(12DIHYDROACENAPHTHYLEN5YL)2((6((46DI(MORPHOLIN4YL)135TRIAZIN2YL)AMINO)13BENZOTHIAZOL2YL)SULFANYL)ACETAMIDE
N(12DIHYDROACENAPHTHYLEN5YL)2((6((46DIMORPHOLIN4YL135TRIAZIN2YL)AMINO)13BENZOTHIAZOL2YL)SULFANYL)ACETAMIDE
NACENAPHTHEN5YL2(6((46DIMORPHOLIN4YL(135TRIAZIN2YL))AMINO)BENZOTHIAZOL2YLTHIO)ACETAMIDE
ZINC000097995718
ZINC97995718

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Available files

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