Vitas-M small molecule compound
(8xi,14xi,17xi,19E)-19-[(3,5-dimethoxybenzyl)imino]-3,5,14-trihydroxycard-20(22)-enolide
Catalog ID
STL526296
SMILES COc1cc(C/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)cc(c1)OC
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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 C32H43NO7 MW 553.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H43NO7/c1-29-8-5-26-27(32(29,37)11-7-25(29)21-14-28(35)40-18-21)6-10-31(36)16-22(34)4-9-30(26,31)19-33-17-20-12-23(38-2)15-24(13-20)39-3/h12-15,19,22,25-27,34,36-37H,4-11,16-18H2,1-3H3/b33-19+/t22?,25?,26-,27?,29+,30-,31?,32?/m0/s1InChIKey
LNGKSZJQAFXXSV-DGCOYDFZSA-NSynonyms
(8xi14xi17xi19E)19((35dimethoxybenzyl)imino)3514trihydroxycard20(22)enolide
4((3S5S8R9S10R13R14S17R)10((E)((35dimethoxybenzyl)imino)methyl)3514trihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
COc1cc(CN=C(C@@)23CC(C@@H)(C(C@@)3(O)CC(C@@H)3(C@@H)2CC(C@)2((C@)3(O)CC(C@@H)2C2=CC(=O)OC2)C)O)cc(c1)OC
InChI=1SC32H43NO7c129852627(32(2937)11725(29)211428(35)401821)61031(36)1622(34)4930(2631)193317201223(382)1524(1320)393h121519222527343637H4111618H213H3b3319+t22?25?2627?29+3031?32?m0s1
MFCD02925339
ZINC000118920388
ZINC000253502577
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