Vitas-M small molecule compound
1-[9-(3-fluorophenyl)-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,9,9a,10,10a,10b,11,12,12a-hexadecahydronaphtho[2',1':4,5]indeno[1,2-c]pyrazol-8(1H)-yl]propan-1-one
Catalog ID
STL181285
SMILES CCC(=O)N1N=C2C(C1c1cccc(c1)F)CC1C2(C)CCC2C1CCC1C2(C)CCCC1
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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 C29H39FN2O MW 450.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39FN2O/c1-4-25(33)32-26(18-8-7-10-20(30)16-18)22-17-24-21-12-11-19-9-5-6-14-28(19,2)23(21)13-15-29(24,3)27(22)31-32/h7-8,10,16,19,21-24,26H,4-6,9,11-15,17H2,1-3H3InChIKey
FTODTWDQQDCOFV-UHFFFAOYSA-NSynonyms
1(9(3fluorophenyl)4a6adimethyl2344a4b566a99a1010a10b111212ahexadecahydronaphtho(2145)indeno(12c)pyrazol8(1H)yl)propan1one
CCC(=O)N1C(C2CC3C4CCC5CCCCC5(C4CCC3(C2=N1)C)C)C6=CC(=CC=C6)F
InChI=1SC29H39FN2Oc1425(33)3226(18871020(30)1618)221724211211199561428(192)23(21)131529(243)27(22)3132h78101619212426H469111517H213H3
MFCD12025545
ZINC000252460484
ZINC000253531133
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