Vitas-M small molecule compound

3,5,6,8-tetramethyl-3-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-7-yl N-(tert-butoxycarbonyl)-D-phenylalaninate

Catalog ID
STL565107
SMILES CC(CCCC1(C)COc2c(C1)c(C)c(c(c2C)OC(=O)[C@H](NC(=O)OC(C)(C)C)Cc1ccccc1)C)CCCC(CCCC(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 C43H67NO5 MW 678.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H67NO5/c1-29(2)18-15-19-30(3)20-16-21-31(4)22-17-25-43(11)27-36-32(5)33(6)38(34(7)39(36)47-28-43)48-40(45)37(26-35-23-13-12-14-24-35)44-41(46)49-42(8,9)10/h12-14,23-24,29-31,37H,15-22,25-28H2,1-11H3,(H,44,46)/t30?,31?,37-,43?/m1/s1
InChIKey
OAPUMZUALQYVIT-XMIXKHGZSA-N
Synonyms

(2R)3568tetramethyl3(4812trimethyltridecyl)chroman7yl2((tertbutoxycarbonyl)amino)3phenylpropanoatetrihydrate
(3568tetramethyl3(4812trimethyltridecyl)24dihydrochromen7yl)(2R)2((2methylpropan2yl)oxycarbonylamino)3phenylpropanoate
16398507
3568tetramethyl3(4812trimethyltridecyl)34dihydro2Hchromen7ylN(tertbutoxycarbonyl)Dphenylalaninate
CC(CCCC1(C)COc2c(C1)c(C)c(c(c2C)OC(=O)(C@H)(NC(=O)OC(C)(C)C)Cc1ccccc1)C)CCCC(CCCC(C)C)COOO
InChI=1SC43H67NO5c129(2)18151930(3)20162131(4)22172543(11)273632(5)33(6)38(34(7)39(36)472843)4840(45)37(2635231312142435)4441(46)4942(89)10h12142324293137H15222528H2111H3(H4446)t30?31?3743?m1s1
MFCD32651363
ZINC000079212769
ZINC000150661314

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.