Vitas-M small molecule compound
(8xi,9xi,14xi,17alpha)-3-[(4-O-acetyl-2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-nitrilocard-20(22)-enolide
Catalog ID
STL525296
SMILES COC1CC(OC2CC[C@]3(C(C2)(O)CCC2C3CC[C@]3(C2(O)CC[C@H]3C2=CC(=O)OC2)C)C#N)OC(C1OC(=O)C)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 C32H45NO9 MW 587.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H45NO9/c1-18-28(41-19(2)34)25(38-4)14-27(40-18)42-21-5-10-30(17-33)23-6-9-29(3)22(20-13-26(35)39-16-20)8-12-32(29,37)24(23)7-11-31(30,36)15-21/h13,18,21-25,27-28,36-37H,5-12,14-16H2,1-4H3/t18?,21?,22-,23?,24?,25?,27?,28?,29+,30-,31?,32?/m0/s1InChIKey
OQFQIRJFROWFPR-DEHKESCBSA-NSynonyms
(6(((10~(R)13~(R)17~(S))10cyano514dihydroxy13methyl17(5oxo2~(H)furan3yl)23467891112151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)oxy)4methoxy2methyloxan3yl)acetate
(8xi9xi14xi17alpha)3((4Oacetyl26dideoxy3Omethylhexopyranosyl)oxy)514dihydroxy19nitrilocard20(22)enolide
44662515
6(((3S5S8R9S10R13R14S17R)10cyano514dihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthren3yl)oxy)4methoxy2methyltetrahydro2Hpyran3ylacetate
COC1CC(O(C@H)2CC(C@)3((C@)(C2)(O)CC(C@@H)2(C@@H)3CC(C@)3((C@)2(O)CC(C@@H)3C2=CC(=O)OC2)C)C#N)OC(C1OC(=O)C)C
InChI=1SC32H45NO9c11828(4119(2)34)25(384)1427(4018)422151030(1733)236929(3)22(201326(35)391620)81232(2937)24(23)71131(3036)1521h1318212527283637H5121416H214H3t18?21?2223?24?25?27?28?29+3031?32?m0s1
MFCD01549090
ZINC000253505978
ZINC000253505984
Check stock
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