Vitas-M small molecule compound
N-[3-(4-methyl-5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]propanamide
Catalog ID
STK858622
SMILES CCC(=O)Nc1cccc(c1)c1nnc(n1C)SCC(=O)c1ccc(cc1)[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 C20H19N5O4S MW 425.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4S/c1-3-18(27)21-15-6-4-5-14(11-15)19-22-23-20(24(19)2)30-12-17(26)13-7-9-16(10-8-13)25(28)29/h4-11H,3,12H2,1-2H3,(H,21,27)InChIKey
CAXSFDMJRKGFOO-UHFFFAOYSA-NSynonyms
496053-94-2496053942
CCC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CCC(=O)Nc1cccc(c1)c1nnc(n1C)SCC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H19N5O4Sc1318(27)211564514(1115)19222320(24(19)2)301217(26)137916(10813)25(28)29h411H312H212H3(H2127)
MFCD03082323
N(3(4methyl5((2(4nitrophenyl)2oxoethyl)sulfanyl)4H124triazol3yl)phenyl)propanamide
N(3(4methyl5((2(4nitrophenyl)2oxoethyl)thio)4H124triazol3yl)phenyl)propionamide
N(3(4METHYL5(2(4NITROPHENYL)2OXOETHYL)SULFANYL124TRIAZOL3YL)PHENYL)PROPANAMIDE
N(3(5((2(4NITROPHENYL)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)PHENYL)PROPANAMIDE
ZINC000013598507
ZINC13598507
Check stock
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Check stock on Vitas-MAvailable files
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