Vitas-M small molecule compound
N-(2-chloro-5-nitrophenyl)-2-({4-ethyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK261050
SMILES CCn1c(SCC(=O)Nc2cc(ccc2Cl)[N+](=O)[O-])nnc1COc1ccccc1C
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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 C20H20ClN5O4S MW 461.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN5O4S/c1-3-25-18(11-30-17-7-5-4-6-13(17)2)23-24-20(25)31-12-19(27)22-16-10-14(26(28)29)8-9-15(16)21/h4-10H,3,11-12H2,1-2H3,(H,22,27)InChIKey
DEIRKRXUQZPHLJ-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)(N+)(=O)(O))Cl)COC3=CC=CC=C3C
CCn1c(SCC(=O)Nc2cc(ccc2Cl)(N+)(=O)(O))nnc1COc1ccccc1C
InChI=1SC20H20ClN5O4Sc132518(113017754613(17)2)232420(25)311219(27)22161014(26(28)29)8915(16)21h410H31112H212H3(H2227)
MFCD06170679
N(2CHLORO5NITROPHENYL)2((4ETHYL5((2METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2CHLORO5NITROPHENYL)2((4ETHYL5((2METHYLPHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2CHLORO5NITROPHENYL)2(4ETHYL5OTOLYLOXYMETHYL4H(124)TRIAZOL3YLSULFANYL)ACETAMIDE
ZINC000009426744
ZINC09426744
ZINC9426744
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