Vitas-M small molecule compound
6-[1-methyl-5-(2-nitrophenyl)-1H-pyrrol-2-yl]-3-(3-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL109987
SMILES Cc1cccc(c1)c1nnc2n1nc(s2)c1ccc(n1C)c1ccccc1[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 C21H16N6O2S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N6O2S/c1-13-6-5-7-14(12-13)19-22-23-21-26(19)24-20(30-21)18-11-10-16(25(18)2)15-8-3-4-9-17(15)27(28)29/h3-12H,1-2H3InChIKey
DCODCBAMIFMZQQ-UHFFFAOYSA-NSynonyms
6(1methyl5(2nitrophenyl)1Hpyrrol2yl)3(3methylphenyl)(124)triazolo(34b)(134)thiadiazole
6(1methyl5(2nitrophenyl)pyrrol2yl)3(3methylphenyl)(124)triazolo(34b)(134)thiadiazole
CC1=CC=CC(=C1)C2=NN=C3N2N=C(S3)C4=CC=C(N4C)C5=CC=CC=C5(N+)(=O)(O)
Cc1cccc(c1)c1nnc2n1nc(s2)c1ccc(n1C)c1ccccc1(N+)(=O)(O)
InChI=1SC21H16N6O2Sc11365714(1213)1922232126(19)2420(3021)18111016(25(18)2)15834917(15)27(28)29h312H12H3
MFCD20744846
ZINC000067300023
ZINC67300023
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