Vitas-M small molecule compound
4,10-bis(acetyloxy)-1,7-dihydroxy-13-({2-hydroxy-3-phenyl-3-[(phenylcarbonyl)amino]propanoyl}oxy)-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
Catalog ID
STL451051
SMILES CC(=O)OC1C(=O)C2(C)C(O)CC3C(C2C(C2(C(C1=C(C)C(OC(=O)C(C(c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
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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 C47H51NO14 MW 853.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24InChIKey
RCINICONZNJXQF-UHFFFAOYSA-NSynonyms
(2ALPHA3XI5BETA7BETA10BETA13ALPHA)410BIS(ACETYLOXY)13(((3R)3(BENZOYLAMINO)2HYDROXY3PHENYLPROPANOYL)OXY)17DIHYDROXY9OXO520EPOXYTAX11EN2YLBENZOATE
410BIS(ACETYLOXY)13((3(BENZOYLAMINO)2HYDROXY3PHENYLPROPANOYL)OXY)17DIHYDROXY9OXO520EPOXYTAX11EN2YLBENZOATE
410bis(acetyloxy)17dihydroxy13((2hydroxy3phenyl3((phenylcarbonyl)amino)propanoyl)oxy)9oxo520epoxytax11en2ylbenzoate
711METHANO5HCYCLODECA(34)BENZ(12B)OXETEBENZENEPROPANOICACIDDERIV
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
InChI=1SC47H51NO14c12531(6043(56)36(52)35(2816107111728)4841(54)2918128131929)2347(57)40(6142(55)3020149152130)3845(632(51)223346(38245833)6227(3)50)39(53)37(5926(2)49)34(25)44(474)5h7213133353840515257H2224H216H3(H4854)
MFCD31750893
PACLITAXEL
TAX11EN9ONE5BETA20EPOXY12ALPHA47BETA10BETA13ALPHAHEXAHYDROXY410DIACETATE2BENZOATE13ESTERWITH(2R3S)NBENZOYL3PHENYLISOSERINE
ZINC000242648587
ZINC000242648590
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