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Vitas-M small molecule compound

5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-N-[(4-tert-butylphenoxy)acetyl]-2'-O-prop-2-en-1-ylcytidine

Catalog ID
STK329893
SMILES C=CCOC1C(O)[C@H](O[C@H]1n1ccc(nc1=O)NC(=O)COc1ccc(cc1)C(C)(C)C)COC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1

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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 C45H49N3O9 MW 775.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H49N3O9/c1-7-27-54-41-40(50)37(57-42(41)48-26-25-38(47-43(48)51)46-39(49)29-55-36-23-13-30(14-24-36)44(2,3)4)28-56-45(31-11-9-8-10-12-31,32-15-19-34(52-5)20-16-32)33-17-21-35(53-6)22-18-33/h7-26,37,40-42,50H,1,27-29H2,2-6H3,(H,46,47,49,51)/t37
InChIKey
BKVVBCGLSZCQGE-IZNIMTPTSA-N
Synonyms

5O(bis(4methoxyphenyl)(phenyl)methyl)N((4tertbutylphenoxy)acetyl)2Oprop2en1ylcytidine
C=CCOC1C(O)(C@H)(O(C@H)1n1ccc(nc1=O)NC(=O)COc1ccc(cc1)C(C)(C)C)COC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1
CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC2=NC(=O)N(C=C2)C3C(C(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)OCC=C
InChI=1SC45H49N3O9c1727544140(50)37(5742(41)48262538(4743(48)51)4639(49)295536231330(142436)44(23)4)285645(31119810123132151934(525)201632)33172135(536)221833h72637404250H12729H226H3(H46474951)t3740?41?42m1s1
MFCD09962096
N(1((2R5R)5((bis(4methoxyphenyl)phenylmethoxy)methyl)4hydroxy3prop2enoxyoxolan2yl)2oxopyrimidin4yl)2(4tertbutylphenoxy)acetamide
ZINC000150388076
ZINC000150388091

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Available files

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