Vitas-M small molecule compound
N-{[5-({2-[(2,6-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK297789
SMILES CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)Nc1c(F)cccc1F
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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 C21H19F2N5O4S MW 475.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F2N5O4S/c1-2-28-17(9-24-20(30)12-6-7-15-16(8-12)32-11-31-15)26-27-21(28)33-10-18(29)25-19-13(22)4-3-5-14(19)23/h3-8H,2,9-11H2,1H3,(H,24,30)(H,25,29)InChIKey
VQVPULRIIDZOMX-UHFFFAOYSA-NSynonyms
BENZO(13)DIOXOLE5CARBOXYLICACID(5((26DIFLUOROPHENYLCARBAMOYL)METHYLSULFANYL)4ETHYL4H(124)TRIAZOL3YLMETHYL)AMIDE
CCN1C(=NN=C1SCC(=O)NC2=C(C=CC=C2F)F)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H19F2N5O4Sc122817(92420(30)12671516(812)32113115)262721(28)331018(29)251913(22)43514(19)23h38H2911H21H3(H2430)(H2529)
MFCD09961183
N((5((2((26difluorophenyl)amino)2oxoethyl)sulfanyl)4ethyl4H124triazol3yl)methyl)13benzodioxole5carboxamide
N((5(2(26difluoroanilino)2oxoethyl)sulfanyl4ethyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000013956754
ZINC13956754
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