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Vitas-M small molecule compound

(3alpha,5alpha,6alpha,8xi,13xi,25alpha)-cevane-3,6-diol

Catalog ID
STL564758
SMILES O[C@@H]1CC[C@]2([C@H](C1)[C@@H](O)CC1[C@@H]2C[C@@H]2[C@H]1CC[C@H]1C2CN2C[C@H](C)CC[C@H]2[C@@H]1C)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 C27H45NO2 MW 415.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20-,21?,22?,23+,24-,25+,26+,27-/m1/s1
InChIKey
NEMWYOKGHGSVSC-VCZJEBPASA-N
Synonyms

(1R6R9S10R11S14S17S18S20R23R24S)61023trimethyl4azahexacyclo(1211002110490152401823)pentacosane1720diol
(3alpha5alpha6alpha8xi13xi25alpha)cevane36diol
(3R4aS5S6aS6bS8aS9R9aS12R15aS15bR16aS16bR)91216btrimethyltetracosahydrobenzo(45)indeno(12h)pyrido(12b)isoquinoline35diol
(3S4aS5S6bS8aS9R9aS12R15bR16aS)91216btrimethyltetracosahydrobenzo(45)indeno(12h)pyrido(12b)isoquinoline35diolhydrochloride
139291978
36CEVANEDIOL
InChI=1SC27H45NO2c115472516(2)18561920(22(18)1428(25)1315)112321(19)1226(30)241017(29)8927(2324)3h15262930H414H213H3t15161718192021?22?23+2425+26+27m1s1
O(C@@H)1CC(C@)2((C@H)(C1)(C@@H)(O)C(C@@H)1(C@@H)2C(C@@H)2(C@H)1CC(C@H)1(C@H)2CN2C(C@H)(C)CC(C@H)2(C@@H)1C)C
O(C@H)1CCC2((C@H)(C1)(C@@H)(O)CC1(C@@H)2C(C@@H)2(C@H)1CC(C@H)1C2CN2C(C@H)(C)CC(C@H)2(C@@H)1C)CCl
ZINC000070673062
ZINC001848443662

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Available files

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