Vitas-M small molecule compound
(4aR,6aR)-4a,6a-dimethyl-8-(6-methylheptan-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11-hexadecahydrochrysen-2-yl {[3-(4-ethoxyphenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate
Catalog ID
STL525291
SMILES CCOc1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC(C2)C(CCCC(C)C)C)C)C1)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 C48H64O7 MW 753.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H64O7/c1-8-51-35-14-16-36(17-15-35)55-46-32(5)53-43-27-37(18-20-40(43)45(46)50)52-29-44(49)54-38-22-25-48(7)34(26-38)13-19-39-41-21-12-33(31(4)11-9-10-30(2)3)28-47(41,6)24-23-42(39)48/h13-18,20,27,30-31,33,38-39,41-42H,8-12,19,21-26,28-29H2,1-InChIKey
FOOAFMYCLHJANF-RBFDZQMSSA-NSynonyms
((4~(a)~(R)6~(a)~(R))4~(a)6~(a)dimethyl8(6methylheptan2yl)12344~(b)567891010~(a)10~(b)11tetradecahydrochrysen2yl)2(3(4ethoxyphenoxy)2methyl4oxochromen7yl)oxyacetate
(4aR6aR)4a6adimethyl8(6methylheptan2yl)12344a4b566a7891010a10b11hexadecahydrochrysen2yl((3(4ethoxyphenoxy)2methyl4oxo4Hchromen7yl)oxy)acetate
(4aR6aR)4a6adimethyl8(6methylheptan2yl)12344a4b566a7891010a10b11hexadecahydrochrysen2yl2((3(4ethoxyphenoxy)2methyl4oxo4Hchromen7yl)oxy)acetate
16395079
CCOc1ccc(cc1)Oc1c(C)oc2c(c1=O)ccc(c2)OCC(=O)OC1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC(C2)C(CCCC(C)C)C)C)C1)C
InChI=1SC48H64O7c185135141636(171535)554632(5)53432737(182040(43)45(46)50)522944(49)5438222548(7)34(2638)13193941211233(31(4)1191030(2)3)2847(416)242342(39)48h1318202730313338394142H8121921262829H217H3t31?33?38?39?41?42?4748+m1s1
MFCD01543564
ZINC000253387731
ZINC000253387735
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