Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-methyl-5-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK744064
SMILES O=C(Nc1ccc2c(c1)OCCO2)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 C18H19N7O5S MW 445.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N7O5S/c1-11-19-8-17(25(27)28)24(11)9-15-21-22-18(23(15)2)31-10-16(26)20-12-3-4-13-14(7-12)30-6-5-29-13/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,20,26)InChIKey
QYZNXJMJYIUVIK-UHFFFAOYSA-NSynonyms
CC1=NC=C(N1CC2=NN=C(N2C)SCC(=O)NC3=CC4=C(C=C3)OCCO4)(N+)(=O)(O)
InChI=1SC18H19N7O5Sc11119817(25(27)28)24(11)915212218(23(15)2)311016(26)2012341314(712)30652913h3478H56910H212H3(H2026)
MFCD06618597
N(23dihydro14benzodioxin6yl)2((4methyl5((2methyl5nitro1Himidazol1yl)methyl)4H124triazol3yl)sulfanyl)acetamide
N(23DIHYDRO14BENZODIOXIN6YL)2((4METHYL5((2METHYL5NITROIMIDAZOL1YL)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1C)Cn1c(C)ncc1(N+)(=O)(O)
ZINC000012427684
ZINC12427684
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