Vitas-M small molecule compound
3,4-dichloro-N-{1-[4-methyl-5-({2-[(2-methyl-4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK136390
SMILES O=C(Nc1ccc(cc1C)[N+](=O)[O-])CSc1nnc(n1C)C(NC(=O)c1ccc(c(c1)Cl)Cl)C
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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 C21H20Cl2N6O4S MW 523.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N6O4S/c1-11-8-14(29(32)33)5-7-17(11)25-18(30)10-34-21-27-26-19(28(21)3)12(2)24-20(31)13-4-6-15(22)16(23)9-13/h4-9,12H,10H2,1-3H3,(H,24,31)(H,25,30)InChIKey
BQANDGPBXBDBMU-UHFFFAOYSA-NSynonyms
34DICHLORON(1(4METHYL5((2((2METHYL4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
34DICHLORON(1(4METHYL5(2(2METHYL4NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC21H20Cl2N6O4Sc111814(29(32)33)5717(11)2518(30)103421272619(28(21)3)12(2)2420(31)134615(22)16(23)913h4912H10H213H3(H2431)(H2530)
MFCD04333754
O=C(Nc1ccc(cc1C)(N+)(=O)(O))CSc1nnc(n1C)C(NC(=O)c1ccc(c(c1)Cl)Cl)C
ZINC000059596408
ZINC000059596413
Check stock
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