Vitas-M small molecule compound
(8xi,9xi,14xi,17xi)-3-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide
Catalog ID
STL564773
SMILES OC[C@@]12CCC(CC2(O)CCC2C1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](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 C29H44O9 MW 536.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H44O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,16,18-22,24-25,30-31,33-35H,3-10,12-15H2,1-2H3/t16-,18?,19?,20?,21?,22+,24+,25-,26-,27+,28?,29?/m1/s1InChIKey
KISYRRMFQYIIFQ-GOQOLDEJSA-NSynonyms
(8xi9xi14xi17xi)3((26dideoxybetaDribohexopyranosyl)oxy)51419trihydroxycard20(22)enolide
145705543
3((10R13R)3((2R4S5S6R)45dihydroxy6methyloxan2yl)oxy514dihydroxy10(hydroxymethyl)13methyl23467891112151617dodecahydro1Hcyclopenta(a)phenanthren17yl)2Hfuran5one
4((3S5S8R9S10R13R14S17R)3(((2R4S5S6R)45dihydroxy6methyltetrahydro2Hpyran2yl)oxy)514dihydroxy10(hydroxymethyl)13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC29H44O9c11625(33)22(31)1224(3716)38183827(1530)204726(2)19(171123(32)361417)61029(2635)21(20)5928(2734)1318h11161822242530313335H3101215H212H3t1618?19?20?21?22+24+252627+28?29?m1s1
MFCD32651560
OC(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)O(C@H)1C(C@H)(O)(C@@H)((C@H)(O1)C)O
ZINC001848443785
ZINC001848443788
Check stock
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Check stock on Vitas-MAvailable files
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