Vitas-M small molecule compound
2-{[4-(prop-2-en-1-yl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STK736659
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(F)(F)F)nnc1C12CC3CC(C2)CC(C1)C3
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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 C24H27F3N4OS MW 476.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27F3N4OS/c1-2-6-31-21(23-11-15-7-16(12-23)9-17(8-15)13-23)29-30-22(31)33-14-20(32)28-19-5-3-4-18(10-19)24(25,26)27/h2-5,10,15-17H,1,6-9,11-14H2,(H,28,32)InChIKey
ITBRXGSNEGZLPD-UHFFFAOYSA-NSynonyms
2((4(prop2en1yl)5(tricyclo(3311~37~)dec1yl)4H124triazol3yl)sulfanyl)N(3(trifluoromethyl)phenyl)acetamide
2((5(1ADAMANTYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)N(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C34CC5CC(C3)CC(C5)C4
InChI=1SC24H27F3N4OSc1263121(231115716(1223)917(815)1323)293022(31)331420(32)281953418(1019)24(2526)27h25101517H1691114H2(H2832)
MFCD08067781
ZINC000012363692
ZINC12363692
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