Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi)-17-(acetylamino)-3-(acetyloxy)androstan-16-yl 5-(acetyloxy)-4-methylpentanoate
Catalog ID
STL524840
SMILES CC(COC(=O)C)CCC(=O)OC1CC2[C@](C1NC(=O)C)(C)CCC1C2CC[C@@H]2[C@]1(C)CCC(C2)OC(=O)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 C31H49NO7 MW 547.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H49NO7/c1-18(17-37-20(3)34)7-10-28(36)39-27-16-26-24-9-8-22-15-23(38-21(4)35)11-13-30(22,5)25(24)12-14-31(26,6)29(27)32-19(2)33/h18,22-27,29H,7-17H2,1-6H3,(H,32,33)/t18?,22-,23?,24?,25?,26?,27?,29?,30-,31-/m0/s1InChIKey
RSPHIQBUGAPVJQ-CAISMLOBSA-NSynonyms
((5~(S)10~(S)13~(S))17acetamido3acetyloxy1013dimethyl23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthren16yl)5acetyloxy4methylpentanoate
(4S)(3R5S8R9S10S13S14S16S)17acetamido3acetoxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren16yl5acetoxy4methylpentanoate
(5alpha8xi9xi14xi)17(acetylamino)3(acetyloxy)androstan16yl5(acetyloxy)4methylpentanoate
126961522
C(C@H)(COC(=O)C)CCC(=O)O(C@H)1C(C@@H)2(C@)(C1NC(=O)C)(C)CC(C@H)1(C@H)2CC(C@@H)2(C@)1(C)CC(C@H)(C2)OC(=O)C
InChI=1SC31H49NO7c118(173720(3)34)71028(36)392716262498221523(3821(4)35)111330(225)25(24)121431(266)29(27)3219(2)33h18222729H717H216H3(H3233)t18?2223?24?25?26?27?29?3031m0s1
MFCD02057781
ZINC001772491813
ZINC001772491816
Check stock
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Check stock on Vitas-MAvailable files
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