Vitas-M small molecule compound
(8xi,14xi,17alpha,19E)-3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-[(2-hydroxyethyl)imino]card-20(22)-enolide
Catalog ID
STL534531
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(OC)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 C32H49NO9 MW 591.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H49NO9/c1-19-28(36)25(39-3)15-27(41-19)42-21-4-9-30(18-33-12-13-34)23-5-8-29(2)22(20-14-26(35)40-17-20)7-11-32(29,38)24(23)6-10-31(30,37)16-21/h14,18-19,21-25,27-28,34,36-38H,4-13,15-17H2,1-3H3/b33-18+/t19?,21?,22-,23-,24?,25?,27?,28?,29+,30-,InChIKey
DCUGDHFMGSIDFG-PZXJCFHRSA-NSynonyms
(8xi14xi17alpha19E)3((26dideoxy3Omethylhexopyranosyl)oxy)514dihydroxy19((2hydroxyethyl)imino)card20(22)enolide
4((9S10R13R17S)514dihydroxy3(((2R4S5R6R)5hydroxy4methoxy6methyltetrahydro2Hpyran2yl)oxy)10((E)((2hydroxyethyl)imino)methyl)13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC32H49NO9c11928(36)25(393)1527(4119)42214930(1833121334)235829(2)22(201426(35)401720)71132(2938)24(23)61031(3037)1621h14181921252728343638H4131517H213H3b3318+t19?21?222324?25?27?28?29+3031?32?m0s1
MFCD08284259
OCCN=C(C@@)12CCC(CC2(O)CCC2(C@@H)1CC(C@)1(C2(O)CC(C@H)1C1=CC(=O)OC1)C)OC1CC(OC)C(C(O1)C)O
ZINC000070708356
ZINC000070708364
Check stock
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Check stock on Vitas-MAvailable files
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