Vitas-M small molecule compound

(8xi,14xi,17xi,19E)-19-({3-[bis(2-hydroxyethyl)amino]propyl}imino)-3,5,14-trihydroxycard-20(22)-enolide

Catalog ID
STL526096
SMILES OCCN(CCO)CCC/N=C/[C@@]12CCC(CC2(O)CCC2[C@@H]1CC[C@]1(C2(O)CCC1C1=CC(=O)OC1)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 C30H48N2O7 MW 548.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H48N2O7/c1-27-7-4-24-25(30(27,38)10-6-23(27)21-17-26(36)39-19-21)5-9-29(37)18-22(35)3-8-28(24,29)20-31-11-2-12-32(13-15-33)14-16-34/h17,20,22-25,33-35,37-38H,2-16,18-19H2,1H3/b31-20+/t22?,23?,24-,25?,27+,28-,29?,30?/m0/s1
InChIKey
MKRWCAIQWFEWRD-MBTFTBBESA-N
Synonyms

(8xi14xi17xi19E)19((3(bis(2hydroxyethyl)amino)propyl)imino)3514trihydroxycard20(22)enolide
4((3S5S8R9S10R13R14S17R)10((E)((3(bis(2hydroxyethyl)amino)propyl)imino)methyl)3514trihydroxy13methylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC30H48N2O7c127742425(30(2738)10623(27)211726(36)391921)5929(37)1822(35)3828(2429)20311121232(131533)141634h1720222533353738H2161819H21H3b3120+t22?23?2425?27+2829?30?m0s1
MFCD02924841
OCCN(CCO)CCCN=C(C@@)12CC(C@@H)(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
ZINC001772492062
ZINC001772492065

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Available files

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