Vitas-M small molecule compound
5-{[({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-2-phenyl-2H-1,2,3-triazole-4-carboxamide
Catalog ID
STK780680
SMILES O=C(Nc1nn(nc1C(=O)N)c1ccccc1)CSc1nnc(n1C)Cn1c(C)ncc1[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 C19H19N11O4S MW 497.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N11O4S/c1-11-21-8-15(30(33)34)28(11)9-13-23-24-19(27(13)2)35-10-14(31)22-18-16(17(20)32)25-29(26-18)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H2,20,32)(H,22,26,31)InChIKey
HKBLGGKTWFYCOT-UHFFFAOYSA-NSynonyms
5((((4methyl5((2methyl5nitro1Himidazol1yl)methyl)4H124triazol3yl)sulfanyl)acetyl)amino)2phenyl2H123triazole4carboxamide
5((2((4METHYL5((2METHYL5NITROIMIDAZOL1YL)METHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)2PHENYLTRIAZOLE4CARBOXAMIDE
CC1=NC=C(N1CC2=NN=C(N2C)SCC(=O)NC3=NN(N=C3C(=O)N)C4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC19H19N11O4Sc11121815(30(33)34)28(11)913232419(27(13)2)351014(31)221816(17(20)32)2529(2618)126435712h38H910H212H3(H22032)(H222631)
MFCD06013497
O=C(Nc1nn(nc1C(=O)N)c1ccccc1)CSc1nnc(n1C)Cn1c(C)ncc1(N+)(=O)(O)
ZINC000012427680
ZINC12427680
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