Vitas-M small molecule compound
(8xi,14xi,17alpha,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-(hydroxyimino)card-20(22)-enolide
Catalog ID
STL527518
SMILES O/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)OC1CC(O)C(C(O1)C)O
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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 C29H43NO9 MW 549.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H43NO9/c1-16-25(33)22(31)12-24(38-16)39-18-3-8-27(15-30-36)20-4-7-26(2)19(17-11-23(32)37-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-36H,3-10,12-14H2,1-2H3/b30-15+/t16?,18?,19-,20-,21?,22?,24?,25?,26+,27-,28?,29?/mInChIKey
IBMQXPXDNMNOFQ-KLYIXYNGSA-NSynonyms
(8xi14xi17alpha19E)3((26dideoxyhexopyranosyl)oxy)514dihydroxy19(hydroxyimino)card20(22)enolide
(E)3(((2R4S5S6R)45dihydroxy6methyltetrahydro2Hpyran2yl)oxy)514dihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthrene10carbaldehydeoxime
135639279
3((9~(S)10~(R)13~(R)17~(S))3(45dihydroxy6methyloxan2yl)oxy514dihydroxy10((~(E))hydroxyiminomethyl)13methyl23467891112151617dodecahydro1~(H)cyclopenta(a)phenanthren17yl)2~(H)furan5one
InChI=1SC29H43NO9c11625(33)22(31)1224(3816)39183827(153036)204726(2)19(171123(32)371417)61029(2635)21(20)5928(2734)1318h11151618222425313336H3101214H212H3b3015+t16?18?192021?22?24?25?26+2728?29?m0s1
MFCD03659972
ON=C(C@@)12CC(C@@H)(C(C@@)2(O)CC(C@@H)2(C@@H)1CC(C@)1((C@)2(O)CC(C@@H)1C1=CC(=O)OC1)C)OC1CC(O)C(C(O1)C)O
ZINC000253501874
ZINC000253501882
Check stock
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Check stock on Vitas-MAvailable files
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