Vitas-M small molecule compound
N-benzyl-N-methyl-N-(propan-2-yl)-3-(2,5,5-trimethyl-3,4,4a,10b-tetrahydro-2H,5H-pyrano[3,2-c]chromen-2-yl)prop-2-yn-1-aminium
Catalog ID
STL553020
SMILES CC([N+](Cc1ccccc1)(CC#CC1(C)CCC2C(O1)c1ccccc1OC2(C)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 C29H38NO2 MW 432.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38NO2/c1-22(2)30(6,21-23-13-8-7-9-14-23)20-12-18-29(5)19-17-25-27(32-29)24-15-10-11-16-26(24)31-28(25,3)4/h7-11,13-16,22,25,27H,17,19-21H2,1-6H3/q+1InChIKey
XMLJZMMZIZSGTD-UHFFFAOYSA-NSynonyms
3764649
benzylmethylpropan2yl(3(255trimethyl344~(a)10~(b)tetrahydropyrano(32c)chromen2yl)prop2ynyl)azanium
BENZYLMETHYLPROPAN2YL(3(255TRIMETHYL344A10BTETRAHYDROPYRANO(32C)CHROMEN2YL)PROP2YNYL)AZANIUM
CC((N+)(Cc1ccccc1)(CC#CC1(C)CCC2C(O1)c1ccccc1OC2(C)C)C)C(I)
InChI=1SC29H38NO2c122(2)30(62123138791423)20121829(5)19172527(3229)241510111626(24)3128(253)4h7111316222527H171921H216H3q+1
NbenzylNisopropylNmethyl3(255trimethyl2344a510bhexahydropyrano(32c)chromen2yl)prop2yn1aminiumiodide
NbenzylNmethylN(propan2yl)3(255trimethyl344a10btetrahydro2H5Hpyrano(32c)chromen2yl)prop2yn1aminium
ZINC000247693265
ZINC000247693272
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