Vitas-M small molecule compound
4-methoxy-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK219199
SMILES COc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCC(=O)c1cccc(c1)[N+](=O)[O-])C
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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 C21H21N5O5S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5S/c1-13(22-20(28)14-7-9-17(31-3)10-8-14)19-23-24-21(25(19)2)32-12-18(27)15-5-4-6-16(11-15)26(29)30/h4-11,13H,12H2,1-3H3,(H,22,28)InChIKey
RMDKUJOBHMNQGE-UHFFFAOYSA-NSynonyms
4METHOXYN((1S)1(4METHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4METHOXYN(1(4METHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
4METHOXYN(1(4METHYL5(2(3NITROPHENYL)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)BENZAMIDE
CC(C1=NN=C(N1C)SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))NC(=O)C3=CC=C(C=C3)OC
COc1ccc(cc1)C(=O)NC(c1nnc(n1C)SCC(=O)c1cccc(c1)(N+)(=O)(O))C
InChI=1SC21H21N5O5Sc113(2220(28)147917(313)10814)19232421(25(19)2)321218(27)1554616(1115)26(29)30h41113H12H213H3(H2228)
MFCD06007585
ZINC000002881624
ZINC000002881625
Check stock
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Check stock on Vitas-MAvailable files
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