Vitas-M small molecule compound
(1beta,2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
Catalog ID
STL556176
SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)[C@H](C1=O)O)C)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 C43H53NO14 MW 807.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,InChIKey
ZDZOTLJHXYCWBA-BSEPLHNVSA-NSynonyms
1217445-55-0((1~(R)2~(S)3~(R)4~(S)7~(R)9~(S)10~(S)12~(R)15~(S))4acetyloxy1912trihydroxy15((2~(R)3~(S))2hydroxy3((2methylpropan2yl)oxycarbonylamino)3phenylpropanoyl)oxy10141717tetramethyl11oxo6oxatetracyclo(11310^(310)0^(47))heptadec13en2yl)benzoate
(1beta2alpha5beta7beta10beta13alpha)4(acetyloxy)13(((2R3S)3((tertbutoxycarbonyl)amino)2hydroxy3phenylpropanoyl)oxy)1710trihydroxy9oxo520epoxytax11en2ylbenzoate
11970251
1217445550
CC(=O)O(C@@)12CO(C@@H)1C(C@@H)((C@@)1(C2(C@H)(OC(=O)c2ccccc2)(C@)2(O)C(C@H)(OC(=O)(C@@H)((C@H)(c3ccccc3)NC(=O)OC(C)(C)C)O)C(=C(C2(C)C)(C@H)(C1=O)O)C)C)O
DOCETAXEL
DOCETAXEL(TAXOTERE)
DOCETAXELINTERMEDIATE
InChI=1SC43H53NO14c12226(5537(51)32(48)30(2415119121624)4438(52)5839(34)5)2043(53)35(5636(50)25171310141825)3341(834(49)31(47)29(22)40(436)7)27(46)192842(33215428)5723(2)45h9182628303335464853H1921H218H3(H4452)t262728+3031+32+333541+4243m0s1
MFCD00800737
ZINC000095546207
ZINC95546207
Check stock
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