Vitas-M small molecule compound
[(7Z)-3-(1,3-benzodioxol-5-yl)-7-(1,3-benzodioxol-5-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]{5-[4-(propan-2-yl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl}methanone
Catalog ID
STL398987
SMILES O=C(N1N=C2C(C1c1ccc3c(c1)OCO3)CCC/C/2=C/c1ccc2c(c1)OCO2)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(cc1)C(C)C
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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 C39H32F3N5O5 MW 707.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H32F3N5O5/c1-21(2)23-7-9-24(10-8-23)28-17-34(39(40,41)42)46-35(43-28)18-29(44-46)38(48)47-37(26-11-13-31-33(16-26)52-20-50-31)27-5-3-4-25(36(27)45-47)14-22-6-12-30-32(15-22)51-19-49-30/h6-18,21,27,37H,3-5,19-20H2,1-2H3/b25-14-InChIKey
XWQVEOKVBFYDCP-QFEZKATASA-NSynonyms
((7Z)3(13benzodioxol5yl)7(13benzodioxol5ylmethylidene)33a4567hexahydro2Hindazol2yl)(5(4(propan2yl)phenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)methanone
((7Z)3(13benzodioxol5yl)7(13benzodioxol5ylmethylidene)3a456tetrahydro3Hindazol2yl)(5(4propan2ylphenyl)7(trifluoromethyl)pyrazolo(15a)pyrimidin2yl)methanone
CC(C)C1=CC=C(C=C1)C2=NC3=CC(=NN3C(=C2)C(F)(F)F)C(=O)N4C(C5CCCC(=CC6=CC7=C(C=C6)OCO7)C5=N4)C8=CC9=C(C=C8)OCO9
InChI=1SC39H32F3N5O5c121(2)237924(10823)281734(39(4041)42)4635(4328)1829(4446)38(48)4737(2611133133(1626)52205031)2753425(36(27)4547)14226123032(1522)51194930h618212737H351920H212H3b2514
MFCD28952577
O=C(N1N=C2C(C1c1ccc3c(c1)OCO3)CCCC2=Cc1ccc2c(c1)OCO2)c1nn2c(c1)nc(cc2C(F)(F)F)c1ccc(cc1)C(C)C
ZINC000150626806
ZINC000161807760
Check stock
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