Vitas-M small molecule compound

(12S,25R)-5,20,31-trimethoxy-11,26-dimethyl-2,18-dioxa-11,26-diazaheptacyclo[23.6.2.2~14,17~.1~19,23~.0~3,8~.0~7,12~.0~29,33~]hexatriaconta-1(31),3,5,7,14,16,19(34),20,22,29,32,35-dodecaen-4-ol (non-preferred name)

Catalog ID
STL564642
SMILES COc1cc2CCN([C@H]3c2cc1Oc1c2CCN([C@H](c2cc(c1O)OC)Cc1ccc(Oc2cc(C3)ccc2OC)cc1)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 C37H40N2O6 MW 608.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)34-20-27(24)29(38)17-23-8-11-31(41-3)33(18-23)44-25-9-6-22(7-10-25)16-30-28-21-35(43-5)36(40)37(45-34)26(28)13-15-39(30)2/h6-11,18-21,29-30,40H,12-17H2,1-5H3/t29-,30+/m1/s1
InChIKey
CASHVZNATRNXDE-IHLOFXLRSA-N
Synonyms
19879-48-2
(12S25R)52031trimethoxy1126dimethyl218dioxa1126diazaheptacyclo(23622^(1417)1^(1923)0^(38)0^(712)0^(2933))hexatriaconta1(31)357141619(34)2022293235dodecaen4ol
(12S25R)52031trimethoxy1126dimethyl218dioxa1126diazaheptacyclo(23622~1417~1~1923~0~38~0~712~0~2933~)hexatriaconta1(31)357141619(34)2022293235dodecaen4ol(nonpreferredname)
(12S25R)52031trimethoxy1126dimethyl218dioxa1126diazaheptacyclo(23622141711923038071202933)hexatriaconta1(31)3(8)4614(36)1517(35)192123(34)2932dodecaen4ol
16395648
19879482
COc1cc2CCN((C@H)3c2cc1Oc1c2CCN((C@H)(c2cc(c1O)OC)Cc1ccc(Oc2cc(C3)ccc2OC)cc1)C)C
InChI=1SC37H40N2O6c1381412241932(424)342027(24)29(38)172381131(413)33(1823)44259622(71025)1630282135(435)36(40)37(4534)26(28)131539(30)2h6111821293040H1217H215H3t2930+m1s1
LAUBERINE
MFCD32651525
ZINC000070665313

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Available files

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