Vitas-M small molecule compound
(8xi,14xi,17alpha,19E)-3-[(2,6-dideoxyhexopyranosyl)oxy]-5,14-dihydroxy-19-[(2-hydroxyethyl)imino]card-20(22)-enolide
Catalog ID
STL527522
SMILES OCC/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 C31H47NO9 MW 577.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H47NO9/c1-18-27(36)24(34)14-26(40-18)41-20-3-8-29(17-32-11-12-33)22-4-7-28(2)21(19-13-25(35)39-16-19)6-10-31(28,38)23(22)5-9-30(29,37)15-20/h13,17-18,20-24,26-27,33-34,36-38H,3-12,14-16H2,1-2H3/b32-17+/t18?,20?,21-,22-,23?,24?,26?,27?,28+,29-,InChIKey
JVAQUBFZUTVVMY-MNVIEIRXSA-NSynonyms
(8xi14xi17alpha19E)3((26dideoxyhexopyranosyl)oxy)514dihydroxy19((2hydroxyethyl)imino)card20(22)enolide
4((5S8R9S10R13R14S17R)3(((2R4S5S6R)45dihydroxy6methyltetrahydro2Hpyran2yl)oxy)514dihydroxy10(((2hydroxyethyl)imino)methyl)13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC31H47NO9c11827(36)24(34)1426(4018)41203829(1732111233)224728(2)21(191325(35)391619)61031(2838)23(22)5930(2937)1520h1317182024262733343638H3121416H212H3b3217+t18?20?212223?24?26?27?28+2930?31?m0s1
OCCN=C(C@@)12CCC(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
ZINC000257360822
ZINC000257360825
Check stock
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Check stock on Vitas-MAvailable files
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