Vitas-M small molecule compound
N-(4-chloro-2-methylphenyl)-2-{[4-(4-fluorophenyl)-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK207983
SMILES CCOc1cc(cc(c1OCC)OCC)c1nnc(n1c1ccc(cc1)F)SCC(=O)Nc1ccc(cc1C)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 C29H30ClFN4O4S MW 585.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30ClFN4O4S/c1-5-37-24-15-19(16-25(38-6-2)27(24)39-7-3)28-33-34-29(35(28)22-11-9-21(31)10-12-22)40-17-26(36)32-23-13-8-20(30)14-18(23)4/h8-16H,5-7,17H2,1-4H3,(H,32,36)InChIKey
GIWBBVYEIKHTRQ-UHFFFAOYSA-NSynonyms
CCOC1=CC(=CC(=C1OCC)OCC)C2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=C(C=C(C=C4)Cl)C
InChI=1SC29H30ClFN4O4Sc1537241519(1625(3862)27(24)3973)28333429(35(28)2211921(31)101222)401726(36)322313820(30)1418(23)4h816H5717H214H3(H3236)
MFCD03194973
N(4CHLORO2METHYLPHENYL)2((4(4FLUOROPHENYL)5(345TRIETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4chloro2methylphenyl)2((4(4fluorophenyl)5(345triethoxyphenyl)4H124triazol3yl)sulfanyl)acetamide
N(4chloro2methylphenyl)2((4(4fluorophenyl)5(345triethoxyphenyl)4H124triazol3yl)thio)acetamide
N(4CHLORO2METHYLPHENYL)2(4(4FLUOROPHENYL)5(345TRIETHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000097948600
ZINC97948600
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