Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-(((2-(5-methoxy-1H-indol-3-yl)ethyl)amino)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one hydrochloride
Catalog ID
STL527427
SMILES COc1ccc2c(c1)c(CCNCC1C(=O)O[C@H]3[C@@H]1[C@@H]1O[C@@]41[C@](C3)(C)CCC[C@@H]4C)c[nH]2
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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 C26H34N2O4 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O4/c1-15-5-4-9-25(2)12-21-22(23-26(15,25)32-23)19(24(29)31-21)14-27-10-8-16-13-28-20-7-6-17(30-3)11-18(16)20/h6-7,11,13,15,19,21-23,27-28H,4-5,8-10,12,14H2,1-3H3/t15-,19?,21+,22+,23-,25+,26-/m0/s1InChIKey
JBTDCYOHIYDLDZ-GITZIYAZSA-NSynonyms
(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5((2(5methoxy1~(H)indol3yl)ethylamino)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9(((2(5methoxy1Hindol3yl)ethyl)amino)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)onehydrochloride
16398033
COc1ccc2c(c1)c(CCNCC1C(=O)O(C@H)3(C@@H)1(C@@H)1O(C@@)41(C@)(C3)(C)CCC(C@@H)4C)c(nH)2Cl
InChI=1SC26H34N2O4c11554925(2)122122(2326(1525)3223)19(24(29)3121)1427108161328207617(303)1118(16)20h671113151921232728H458101214H213H3t1519?21+22+2325+26m0s1
MFCD32649857
ZINC000009067921
ZINC000012661431
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