Vitas-M small molecule compound
N-{[5-({2-[(2,4-difluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-1,3-benzodioxole-5-carboxamide
Catalog ID
STK497604
SMILES CCn1c(SCC(=O)Nc2ccc(cc2F)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 C21H19F2N5O4S MW 475.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F2N5O4S/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)25-15-5-4-13(22)8-14(15)23/h3-8H,2,9-11H2,1H3,(H,24,30)(H,25,29)InChIKey
ZTWGMVAKMKPNGB-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F)CNC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H19F2N5O4Sc122818(92420(30)12361617(712)32113116)262721(28)331019(29)25155413(22)814(15)23h38H2911H21H3(H2430)(H2529)
MFCD11854987
N((5((2((24difluorophenyl)amino)2oxoethyl)sulfanyl)4ethyl4H124triazol3yl)methyl)13benzodioxole5carboxamide
N((5(2(24difluoroanilino)2oxoethyl)sulfanyl4ethyl124triazol3yl)methyl)13benzodioxole5carboxamide
ZINC000032579348
ZINC32579348
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