Vitas-M small molecule compound
(8xi,9xi,14xi,17xi)-3-[(bromoacetyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
Catalog ID
STL539150
SMILES BrCC(=O)OC1CC[C@]2(C(C1)(O)CCC1C2CC[C@]2(C1(O)CCC2C1=CC(=O)OC1)C)C=O
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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 C25H33BrO7 MW 525.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33BrO7/c1-22-6-3-18-19(25(22,31)9-5-17(22)15-10-20(28)32-13-15)4-8-24(30)11-16(33-21(29)12-26)2-7-23(18,24)14-27/h10,14,16-19,30-31H,2-9,11-13H2,1H3/t16?,17?,18?,19?,22-,23+,24?,25?/m1/s1InChIKey
HQEHABLFHCPQHP-FMPUXACKSA-NSynonyms
((10~(S)13~(R))10formyl514dihydroxy13methyl17(5oxo2~(H)furan3yl)23467891112151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)2bromoacetate
(3S5S8R9S10S13R14S17R)10formyl514dihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren3yl2bromoacetate
(8xi9xi14xi17xi)3((bromoacetyl)oxy)514dihydroxy19oxocard20(22)enolide
75366864
BrCC(=O)O(C@H)1CC(C@)2((C@)(C1)(O)CC(C@@H)1(C@@H)2CC(C@)2((C@)1(O)CC(C@@H)2C1=CC(=O)OC1)C)C=O
InChI=1SC25H33BrO7c122631819(25(2231)9517(22)151020(28)321315)4824(30)1116(3321(29)1226)2723(1824)1427h101416193031H291113H21H3t16?17?18?19?2223+24?25?m1s1
MFCD01547155
ZINC000252678915
ZINC000253533745
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