Vitas-M small molecule compound

2-{9-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5,9-dihydro-4H-purin-6-yl}-1H-isoindole-1,3(2H)-dione

Catalog ID
STK368455
SMILES O[C@H]1[C@@H](O[C@H]2[C@H]1O[Si](O[Si](OC2)(C(C)C)C(C)C)(C(C)C)C(C)C)N1C=NC2C1N=CN=C2N1C(=O)c2c(C1=O)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 C30H43N5O7Si2 MW 641.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H43N5O7Si2/c1-16(2)43(17(3)4)39-13-22-25(41-44(42-43,18(5)6)19(7)8)24(36)30(40-22)34-15-33-23-26(34)31-14-32-27(23)35-28(37)20-11-9-10-12-21(20)29(35)38/h9-12,14-19,22-26,30,36H,13H2,1-8H3/t22-,23?,24-,25-,26?,30-/m1/s1
InChIKey
RSALMWXDDHSQLZ-OIQCPLAQSA-N
Synonyms

2(9((6aR8R9R9aS)9hydroxy2244tetra(propan2yl)6a899atetrahydro6Hfuro(32f)(13524)trioxadisilocin8yl)45dihydropurin6yl)isoindole13dione
2(9((6aR8R9R9aS)9hydroxy2244tetra(propan2yl)tetrahydro6Hfuro(32f)(13524)trioxadisilocin8yl)59dihydro4Hpurin6yl)1Hisoindole13(2H)dione
CC(C)(Si)1(OCC2C(C(C(O2)N3C=NC4C3N=CN=C4N5C(=O)C6=CC=CC=C6C5=O)O)O(Si)(O1)(C(C)C)C(C)C)C(C)C
InChI=1SC30H43N5O7Si2c116(2)43(17(3)4)39132225(4144(424318(5)6)19(7)8)24(36)30(4022)3415332326(34)31143227(23)3528(37)20119101221(20)29(35)38h912141922263036H13H218H3t2223?242526?30m1s1
MFCD13368842
O(C@H)1(C@@H)(O(C@H)2(C@H)1O(Si)(O(Si)(OC2)(C(C)C)C(C)C)(C(C)C)C(C)C)N1C=NC2C1N=CN=C2N1C(=O)c2c(C1=O)cccc2
ZINC000197366420
ZINC000197366458

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Available files

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