Vitas-M small molecule compound

(9E)-5,19-dihydroxy-3-[(1E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,2

Catalog ID
STL504718
SMILES C=CCC1/C=C(\C)/CC(C)CC(OC)C2OC(O)(C(CC2OC)C)C(=O)C(=O)N2C(C(=O)OC(C(C(CC1=O)O)C)/C(=C/C1CCC(C(C1)OC)O)/C)CCCC2

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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 C44H69NO12 MW 804.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/
InChIKey
QJJXYPPXXYFBGM-FWWCNTFXSA-N
Synonyms

(18~(E))114dihydroxy12((~(E))1(4hydroxy3methoxycyclohexyl)prop1en2yl)2325dimethoxy13192127tetramethyl17prop2enyl1128dioxa4azatricyclo(22310^(49))octacos18ene231016tetrone
(9E)519dihydroxy3((1E)1(4hydroxy3methoxycyclohexyl)prop1en2yl)1416dimethoxy4101218tetramethyl8(prop2en1yl)56811121314151617181924252626ahexadecahydro3H1519epoxypyrido(21c)(14)oxazacyclotricosine17202
6536850
InChI=1SC44H69NO12c11013311925(2)1826(3)2037(548)4038(559)2228(5)44(525740)41(49)42(50)451712111432(45)43(51)5639(29(6)34(47)2435(31)48)27(4)2130151633(46)36(2330)537h1019212628343640464752H11118202224H229H3b2519+2721+
MFCD30180820
ZINC000271776637
ZINC000958569295

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Available files

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