Vitas-M small molecule compound
3,4-dichloro-N-{[5-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK126435
SMILES CCc1ccc(cc1)NC(=O)CSc1nnc(n1C)CNC(=O)c1ccc(c(c1)Cl)Cl
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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 C21H21Cl2N5O2S MW 478.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2N5O2S/c1-3-13-4-7-15(8-5-13)25-19(29)12-31-21-27-26-18(28(21)2)11-24-20(30)14-6-9-16(22)17(23)10-14/h4-10H,3,11-12H2,1-2H3,(H,24,30)(H,25,29)InChIKey
HQNKTBHGYFGXER-UHFFFAOYSA-NSynonyms
34DICHLORON((5((2((4ETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
34DICHLORON((5(2(4ETHYLANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)BENZAMIDE
CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC21H21Cl2N5O2Sc13134715(8513)2519(29)123121272618(28(21)2)112420(30)146916(22)17(23)1014h410H31112H212H3(H2430)(H2529)
MFCD06662591
ZINC000009305332
ZINC09305332
ZINC9305332
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