Vitas-M small molecule compound

6-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-bis(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine

Catalog ID
STK044645
SMILES CCOc1ccc(cc1)Nc1nc(Nc2ccc(cc2)OCC)nc(n1)Sc1sc2c(n1)ccc(c2)OCC

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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 C28H28N6O3S2 MW 560.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N6O3S2/c1-4-35-20-11-7-18(8-12-20)29-25-32-26(30-19-9-13-21(14-10-19)36-5-2)34-27(33-25)39-28-31-23-16-15-22(37-6-3)17-24(23)38-28/h7-17H,4-6H2,1-3H3,(H2,29,30,32,33,34)
InChIKey
DMPYZNWOSDTORA-UHFFFAOYSA-N
Synonyms

(4(6ETHOXYBENZOTHIAZOL2YLTHIO)6((4ETHOXYPHENYL)AMINO)(135TRIAZIN2YL))(4ETHOXYPHENYL)AMINE
6((6ETHOXY13BENZOTHIAZOL2YL)SULFANYL)2N4NBIS(4ETHOXYPHENYL)135TRIAZINE24DIAMINE
6((6ETHOXY13BENZOTHIAZOL2YL)SULFANYL)NNBIS(4ETHOXYPHENYL)135TRIAZINE24DIAMINE
6((6ethoxybenzo(d)thiazol2yl)thio)N2N4bis(4ethoxyphenyl)135triazine24diamine
CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)SC3=NC4=C(S3)C=C(C=C4)OCC)NC5=CC=C(C=C5)OCC
CCOc1ccc(cc1)Nc1nc(Nc2ccc(cc2)OCC)nc(n1)Sc1sc2c(n1)ccc(c2)OCC
InChI=1SC28H28N6O3S2c14352011718(81220)29253226(301991321(141019)3652)3427(3325)39283123161522(3763)1724(23)3828h717H46H213H3(H22930323334)
MFCD01796426
STK044645
ZINC000002595751
ZINC2595751

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Available files

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