Vitas-M small molecule compound
N-[(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK261097
SMILES O=C(c1ccc2c(c1)OCO2)NCc1nnc(n1C)SCC(=O)c1cccc(c1)[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 C20H17N5O6S MW 455.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O6S/c1-24-18(9-21-19(27)13-5-6-16-17(8-13)31-11-30-16)22-23-20(24)32-10-15(26)12-3-2-4-14(7-12)25(28)29/h2-8H,9-11H2,1H3,(H,21,27)InChIKey
AUNXVQKTCATXKH-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4METHYL5(2(3NITROPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC20H17N5O6Sc12418(92119(27)13561617(813)31113016)222320(24)321015(26)1232414(712)25(28)29h28H911H21H3(H2127)
MFCD08670468
N((4METHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4methyl5(2(3nitrophenyl)2oxoethyl)sulfanyl124triazol3yl)methyl)13benzodioxole5carboxamide
O=C(c1ccc2c(c1)OCO2)NCc1nnc(n1C)SCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000009426789
ZINC09426789
ZINC9426789
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