Vitas-M small molecule compound
3-benzyl-6-[(E)-2-(4-nitrophenyl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STK192038
SMILES [O-][N+](=O)c1ccc(cc1)/C=C/c1nn2c(s1)nnc2Cc1ccccc1
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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 C18H13N5O2S MW 363.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N5O2S/c24-23(25)15-9-6-13(7-10-15)8-11-17-21-22-16(19-20-18(22)26-17)12-14-4-2-1-3-5-14/h1-11H,12H2/b11-8+InChIKey
ZTCSQKMMLJJVDZ-DHZHZOJOSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1)C=Cc1nn2c(s1)nnc2Cc1ccccc1
3BENZYL6((E)2(4NITROPHENYL)ETHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)C=CC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC18H13N5O2Sc2423(25)159613(71015)81117212216(192018(22)2617)12144213514h111H12H2b118+
MFCD05088188
ZINC000004742577
ZINC04742577
ZINC4742577
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