Vitas-M small molecule compound
N-cyclopentyl-2-({5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK743962
SMILES O=C(NC1CCCC1)CSc1nnc(n1c1ccccc1)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 C20H23N7O3S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N7O3S/c1-14-21-11-19(27(29)30)25(14)12-17-23-24-20(26(17)16-9-3-2-4-10-16)31-13-18(28)22-15-7-5-6-8-15/h2-4,9-11,15H,5-8,12-13H2,1H3,(H,22,28)InChIKey
XKXMZVUNDCRRRU-UHFFFAOYSA-NSynonyms
CC1=NC=C(N1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4CCCC4)(N+)(=O)(O)
InChI=1SC20H23N7O3Sc114211119(27(29)30)25(14)1217232420(26(17)1693241016)311318(28)2215756815h2491115H581213H21H3(H2228)
MFCD06017017
Ncyclopentyl2((5((2methyl5nitro1Himidazol1yl)methyl)4phenyl4H124triazol3yl)sulfanyl)acetamide
NCYCLOPENTYL2((5((2METHYL5NITROIMIDAZOL1YL)METHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
O=C(NC1CCCC1)CSc1nnc(n1c1ccccc1)Cn1c(C)ncc1(N+)(=O)(O)
ZINC000012427689
ZINC12427689
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