Vitas-M small molecule compound

2-benzyl-5-(diphenylamino)-3-phenyl-1,2,4-thiadiazol-2-ium

Catalog ID
STL364131
SMILES c1ccc(cc1)C[n+]1sc(nc1c1ccccc1)N(c1ccccc1)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 C27H22N3S MW 420.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N3S/c1-5-13-22(14-6-1)21-29-26(23-15-7-2-8-16-23)28-27(31-29)30(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+1
InChIKey
YAGBRLRRZGYAII-UHFFFAOYSA-N
Synonyms

(2BENZYL3PHENYL124THIADIAZOL5YLIDENE)DIPHENYLAZANIUM
2benzyl5(diphenylamino)3phenyl124thiadiazol2ium
2benzyl5(diphenylamino)3phenyl124thiadiazol2iumperchloratehydrate
C1=CC=C(C=C1)CN2C(=NC(=(N+)(C3=CC=CC=C3)C4=CC=CC=C4)S2)C5=CC=CC=C5
c1ccc(cc1)C(n+)1sc(nc1c1ccccc1)N(c1ccccc1)c1ccccc1
c1ccc(cc1)C(n+)1sc(nc1c1ccccc1)N(c1ccccc1)c1ccccc1(O)(Cl)(=O)(=O)=OO
InChI=1SC27H22N3Sc151322(1461)212926(23157281623)2827(3129)30(241793101824)2519114122025h120H21H2q+1
MFCD00620648
N(2BENZYL3PHENYL124THIADIAZOL5(2H)YLIDENE)NPHENYLANILINIUM
ZINC000001809877
ZINC01809877
ZINC1809877

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Available files

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