Vitas-M small molecule compound
2-methyl-N-[2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-3-nitrobenzamide
Catalog ID
STK345698
SMILES Cc1ccc(cc1NC(=O)c1cccc(c1C)[N+](=O)[O-])c1nn2c(s1)nnc2C
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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 C19H16N6O3S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N6O3S/c1-10-7-8-13(18-23-24-12(3)21-22-19(24)29-18)9-15(10)20-17(26)14-5-4-6-16(11(14)2)25(27)28/h4-9H,1-3H3,(H,20,26)InChIKey
YPUMWBYRXNFSDZ-UHFFFAOYSA-NSynonyms
2methylN(2methyl5(3methyl(124)triazolo(34b)(134)thiadiazol6yl)phenyl)3nitrobenzamide
CC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)C)NC(=O)C4=C(C(=CC=C4)(N+)(=O)(O))C
Cc1ccc(cc1NC(=O)c1cccc(c1C)(N+)(=O)(O))c1nn2c(s1)nnc2C
InChI=1SC19H16N6O3Sc1107813(18232412(3)212219(24)2918)915(10)2017(26)1454616(11(14)2)25(27)28h49H13H3(H2026)
MFCD04395809
ZINC000002860395
ZINC02860395
ZINC2860395
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