Vitas-M small molecule compound
(8xi,14xi,17xi,19E)-19-[(3,4-dimethoxybenzyl)imino]-3,5,14-trihydroxycard-20(22)-enolide
Catalog ID
STL526286
SMILES COc1cc(C/N=C/[C@@]23CCC(CC3(O)CCC3[C@@H]2CC[C@]2(C3(O)CCC2C2=CC(=O)OC2)C)O)ccc1OC
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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/c1-29-10-7-24-25(32(29,37)13-9-23(29)21-15-28(35)40-18-21)8-12-31(36)16-22(34)6-11-30(24,31)19-33-17-20-4-5-26(38-2)27(14-20)39-3/h4-5,14-15,19,22-25,34,36-37H,6-13,16-18H2,1-3H3/b33-19+/t22?,23?,24-,25?,29+,30-,31?,32?/m0/s1InChIKey
XSSDYVBLIAUMQJ-WTJKMWNNSA-NSynonyms
(8xi14xi17xi19E)19((34dimethoxybenzyl)imino)3514trihydroxycard20(22)enolide
4((3S5S8R9S10R13R14S17R)10((E)((34dimethoxybenzyl)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)ccc1OC
InChI=1SC32H43NO7c1291072425(32(2937)13923(29)211528(35)401821)81231(36)1622(34)61130(2431)193317204526(382)27(1420)393h451415192225343637H6131618H213H3b3319+t22?23?2425?29+3031?32?m0s1
MFCD02925858
ZINC000118920392
ZINC000253502796
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