Vitas-M small molecule compound

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

Catalog ID
STK789864
SMILES CCOc1ccc2c(c1)sc(n2)Sc1nc(Nc2ccc(cc2)C)nc(n1)Nc1cccc(c1)[N+](=O)[O-]

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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 C25H21N7O3S2 MW 531.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N7O3S2/c1-3-35-19-11-12-20-21(14-19)36-25(28-20)37-24-30-22(26-16-9-7-15(2)8-10-16)29-23(31-24)27-17-5-4-6-18(13-17)32(33)34/h4-14H,3H2,1-2H3,(H2,26,27,29,30,31)
InChIKey
LJQSQXFBPQQPTE-UHFFFAOYSA-N
Synonyms
373613-88-8
373613888
6((6ETHOXY13BENZOTHIAZOL2YL)SULFANYL)4N(4METHYLPHENYL)2N(3NITROPHENYL)135TRIAZINE24DIAMINE
6((6ethoxy13benzothiazol2yl)sulfanyl)N(4methylphenyl)N(3nitrophenyl)135triazine24diamine
6((6ethoxybenzo(d)thiazol2yl)thio)N2(3nitrophenyl)N4(ptolyl)135triazine24diamine
CCOC1=CC2=C(C=C1)N=C(S2)SC3=NC(=NC(=N3)NC4=CC(=CC=C4)(N+)(=O)(O))NC5=CC=C(C=C5)C
CCOc1ccc2c(c1)sc(n2)Sc1nc(Nc2ccc(cc2)C)nc(n1)Nc1cccc(c1)(N+)(=O)(O)
InChI=1SC25H21N7O3S2c13351911122021(1419)3625(2820)37243022(26169715(2)81016)2923(3124)271754618(1317)32(33)34h414H3H212H3(H22627293031)
MFCD01948664
ZINC000001742490
ZINC01742490
ZINC1742490

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Available files

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