Vitas-M small molecule compound
(1S,6S,9S,10R,14R,17S,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.1~2,6~.0~1,11~.0~3,9~.0~14,18~]icos-19-yl benzoate (non-preferred name)
Catalog ID
STL581385
SMILES CCN1C[C@]2(C)CC[C@@H]([C@]34[C@H]1[C@@H]([C@H](C23)OC(=O)c1ccccc1)[C@@]1(O)CC[C@H]2CC4C1C(=O)O2)OC
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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 C29H37NO6 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/t17-,18?,19-,20?,21-,22+,23?,24+,27-,28+,29-/m0/s1InChIKey
XVVZJDDPRFFKTQ-NVMLVXRWSA-NSynonyms
(1S6S9S10R14R17S19S)12ethyl9hydroxy17methoxy14methyl4oxo5oxa12azahexacyclo(8721~26~0~111~0~39~0~1418~)icos19ylbenzoate(nonpreferredname)
(3R6S6aS7R7aS10S12aS13R14S15R)1ethyl12ahydroxy6methoxy3methyl8oxotetradecahydro1H36a13(epiethane(112)triyl)710methanooxepino(3445)benzo(12b)azocin14ylbenzoatehydrochloride
CCN1C(C@)2(C)CC(C@@H)((C@)34(C@H)1(C@H)((C@H)((C@H)23)OC(=O)c1ccccc1)(C@@)1(O)CC(C@H)2C(C@@H)4(C@@H)1C(=O)O2)OCCl
InChI=1SC29H37NO6c14301527(2)121119(343)29181417101328(3320(18)26(32)3517)21(24(29)30)22(23(27)29)3625(31)168657916h59172433H41015H213H3t1718?1920?2122+23?24+2728+29m0s1
Check stock
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Check stock on Vitas-MAvailable files
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