Vitas-M small molecule compound
N-[(4-ethyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK245767
SMILES CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=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 C21H19N5O6S MW 469.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O6S/c1-2-25-19(10-22-20(28)14-6-7-17-18(9-14)32-12-31-17)23-24-21(25)33-11-16(27)13-4-3-5-15(8-13)26(29)30/h3-9H,2,10-12H2,1H3,(H,22,28)InChIKey
ZFBICPJYZYXFGZ-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(4ETHYL5(2(3NITROPHENYL)2OXOETHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))CNC(=O)C3=CC4=C(C=C3)OCO4
CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H19N5O6Sc122519(102220(28)14671718(914)32123117)232421(25)331116(27)1343515(813)26(29)30h39H21012H21H3(H2228)
MFCD08670481
N((4ETHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((4ethyl5(2(3nitrophenyl)2oxoethyl)sulfanyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000009328055
ZINC09328055
ZINC9328055
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