Vitas-M small molecule compound

9-(4-methoxy-3-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}phenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STL036421
SMILES COc1ccc(cc1CN1CCN(CC1)c1ccccc1OC)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 C36H44N2O5 MW 584.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N2O5/c1-35(2)18-26(39)33-30(20-35)43-31-21-36(3,4)19-27(40)34(31)32(33)23-11-12-28(41-5)24(17-23)22-37-13-15-38(16-14-37)25-9-7-8-10-29(25)42-6/h7-12,17,32H,13-16,18-22H2,1-6H3
InChIKey
PJNJPHVPJKIZEA-UHFFFAOYSA-N
Synonyms

9(4methoxy3((4(2methoxyphenyl)piperazin1yl)methyl)phenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(4methoxy3((4(2methoxyphenyl)piperazin1yl)methyl)phenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)CN5CCN(CC5)C6=CC=CC=C6OC)C(=O)C1)C
InChI=1SC36H44N2O5c135(2)1826(39)3330(2035)43312136(34)1927(40)34(31)32(33)23111228(415)24(1723)2237131538(161437)259781029(25)426h7121732H13161822H216H3
MFCD03553691
ZINC000001276549
ZINC1276549

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Available files

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