Vitas-M small molecule compound
9-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK539507
SMILES COc1ccc(cc1CN1CCN(CC1)c1ccccc1F)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(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 C35H41FN2O4 MW 572.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41FN2O4/c1-34(2)17-26(39)32-29(19-34)42-30-20-35(3,4)18-27(40)33(30)31(32)22-10-11-28(41-5)23(16-22)21-37-12-14-38(15-13-37)25-9-7-6-8-24(25)36/h6-11,16,31H,12-15,17-21H2,1-5H3InChIKey
PYPAFKIDEFXUPY-UHFFFAOYSA-NSynonyms
9(3((4(2fluorophenyl)piperazin1yl)methyl)4methoxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3((4(2fluorophenyl)piperazin1yl)methyl)4methoxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)CN5CCN(CC5)C6=CC=CC=C6F)C(=O)C1)C
InChI=1SC35H41FN2O4c134(2)1726(39)3229(1934)42302035(34)1827(40)33(30)31(32)22101128(415)23(1622)2137121438(151337)25976824(25)36h6111631H12151721H215H3
MFCD03009100
ZINC000001259810
ZINC1259810
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