Vitas-M small molecule compound
N-{[5-({2-[(3-chloro-4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK297230
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)Cl)F)nnc1CNC(=O)c1ccc2c(c1)OCO2
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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 C21H19ClFN5O4S MW 491.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClFN5O4S/c1-2-28-18(9-24-20(30)12-3-6-16-17(7-12)32-11-31-16)26-27-21(28)33-10-19(29)25-13-4-5-15(23)14(22)8-13/h3-8H,2,9-11H2,1H3,(H,24,30)(H,25,29)InChIKey
HQUWCGLGKPICJF-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(5((3CHLORO4FLUOROPHENYLCARBAMOYL)METHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)F)Cl)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H19ClFN5O4Sc122818(92420(30)12361617(712)32113116)262721(28)331019(29)25134515(23)14(22)813h38H2911H21H3(H2430)(H2529)
MFCD09960824
N((5((2((3CHLORO4FLUOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)METHYL)13BENZODIOXOLE5CARBOXAMIDE
N((5(2(3chloro4fluoroanilino)2oxoethyl)sulfanyl4ethyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000013956001
ZINC13956001
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