Vitas-M small molecule compound

(5alpha,8xi,13xi)-20-hydroxycevane-3,6-dione

Catalog ID
STL564744
SMILES C[C@H]1CC[C@@H]2N(C1)CC1[C@@H]([C@]2(C)O)CC[C@@H]2[C@H]1C[C@H]1C2CC(=O)[C@@H]2[C@]1(C)CCC(=O)C2

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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 C27H41NO3 MW 427.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15,17-23,25,31H,4-14H2,1-3H3/t15-,17+,18+,19?,20?,21-,22-,23+,25-,26+,27-/m0/s1
InChIKey
HIDAYMRWVVNXAO-QPZRWEJDSA-N
Synonyms
61989-75-1
(1R6S9S10S11S14S18S23R24S)10hydroxy61023trimethyl4azahexacyclo(1211002110490152401823)pentacosane1720dione
(4aS6aS6bS8aS9S9aS12S15bR16aS16bR)9hydroxy91216btrimethylicosahydrobenzo(45)indeno(12h)pyrido(12b)isoquinoline35(2H15bH)dione
(5alpha8xi13xi)20hydroxycevane36dione
16395931
61989751
C(C@H)1CC(C@@H)2N(C1)CC1(C@@H)((C@)2(C)O)CC(C@@H)2(C@H)1C(C@H)1C2CC(=O)(C@@H)2(C@)1(C)CCC(=O)C2
InChI=1SC27H41NO3c115472527(331)21651718(20(21)1428(25)1315)112219(17)1224(30)231016(29)8926(2223)2h1517232531H414H213H3t1517+18+19?20?212223+2526+27m0s1
ZINC000070665689
ZINC000252694033

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Available files

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