Vitas-M small molecule compound
1-({6-[(E)-2-(4-nitrophenyl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}methyl)-1H-benzotriazole
Catalog ID
STK506602
SMILES [O-][N+](=O)c1ccc(cc1)/C=C/c1nn2c(s1)nnc2Cn1nnc2c1cccc2
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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 C18H12N8O2S MW 404.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N8O2S/c27-26(28)13-8-5-12(6-9-13)7-10-17-22-25-16(20-21-18(25)29-17)11-24-15-4-2-1-3-14(15)19-23-24/h1-10H,11H2/b10-7+InChIKey
RPEICEJHSMETBD-JXMROGBWSA-NSynonyms
892611-46-0(E)3((1Hbenzo(d)(123)triazol1yl)methyl)6(4nitrostyryl)(124)triazolo(34b)(134)thiadiazole
(O)(N+)(=O)c1ccc(cc1)C=Cc1nn2c(s1)nnc2Cn1nnc2c1cccc2
1((6((E)2(4nitrophenyl)ethenyl)(124)triazolo(34b)(134)thiadiazol3yl)methyl)1Hbenzotriazole
3(BENZOTRIAZOL1YLMETHYL)6((E)2(4NITROPHENYL)ETHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
892611460
C1=CC=C2C(=C1)N=NN2CC3=NN=C4N3N=C(S4)C=CC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC18H12N8O2Sc2726(28)138512(6913)71017222516(202118(25)2917)112415421314(15)192324h110H11H2b107+
MFCD06772950
ZINC000009330126
ZINC09330126
ZINC9330126
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