Vitas-M small molecule compound
(1S,2S,12bS)-1,2-bis(acetyloxy)-6-methyl-2,3,3a,4,5,7,12b,12c-octahydro-1H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-6-ium
Catalog ID
STL552681
SMILES CC(=O)O[C@@H]1[C@@H](OC(=O)C)CC2C3[C@@H]1c1cc4OCOc4cc1C[N+]3(C)CC2
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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 C21H26NO6 MW 388.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26NO6/c1-11(23)27-18-6-13-4-5-22(3)9-14-7-16-17(26-10-25-16)8-15(14)19(20(13)22)21(18)28-12(2)24/h7-8,13,18-21H,4-6,9-10H2,1-3H3/q+1/t13?,18-,19-,20?,21+,22?/m0/s1InChIKey
IMBDORDSYLEEOF-BLTGTAHWSA-NSynonyms
((1~(S)17~(S)18~(S))18acetyloxy12methyl57dioxa12azoniapentacyclo(10610^(210)0^(48)0^(1519))nonadeca24(8)9trien17yl)acetate
(1S2S12bS)12bis(acetyloxy)6methyl233a45712b12coctahydro1H(13)dioxolo(45j)pyrrolo(321de)phenanthridin6ium
(1S2S3aR3a1R12bS)12diacetoxy6methyl1233a3a1456712bdecahydro(13)dioxolo(45j)pyrrolo(321de)phenanthridin6iumiodide
44656232
CC(=O)O(C@@H)1(C@@H)(OC(=O)C)C(C@@H)2(C@@H)3(C@@H)1c1cc4OCOc4cc1C(N+)3(C)CC2(I)
InChI=1SC21H26NO6c111(23)27186134522(3)91471617(26102516)815(14)19(20(13)22)21(18)2812(2)24h78131821H46910H213H3q+1t13?181920?21+22?m0s1
ZINC000252441146
ZINC000252441149
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