Vitas-M small molecule compound

1-{7-[(4aR)-5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-1-phenyl-4,4a-dihydro-1H-[1]benzofuro[3,2-f]indazol-8-yl]-4-hydroxypyrido[2,3-d]pyrimidin-2-yl}piperidine-4-carboxamide

Catalog ID
STL561485
SMILES NC(=O)C1CCN(CC1)c1nc2nc(ccc2c(n1)O)c1c(O)c(C)c(c2c1OC1=Cc3c(C(=O)[C@]21C)c(nn3c1ccccc1)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 C35H31N7O6 MW 645.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H31N7O6/c1-16-27(43)25(21-10-9-20-32(37-21)38-34(39-33(20)47)41-13-11-18(12-14-41)31(36)46)29-26(28(16)44)35(3)23(48-29)15-22-24(30(35)45)17(2)40-42(22)19-7-5-4-6-8-19/h4-10,15,18,43-44H,11-14H2,1-3H3,(H2,36,46)(H,37,38,39,47)/t35-/m0/s1
InChIKey
WKAMTUSXYJIHGP-DHUJRADRSA-N
Synonyms

1(7((4aR)57dihydroxy34a6trimethyl4oxo1phenyl(1)benzofuro(32f)indazol8yl)4oxo3Hpyrido(23d)pyrimidin2yl)piperidine4carboxamide
1(7((4aR)57dihydroxy34a6trimethyl4oxo1phenyl44adihydro1H(1)benzofuro(32f)indazol8yl)4hydroxypyrido(23d)pyrimidin2yl)piperidine4carboxamide
145704843
InChI=1SC35H31N7O6c11627(43)25(211092032(3721)3834(3933(20)47)41131118(121441)31(36)46)2926(28(16)44)35(3)23(4829)152224(30(35)45)17(2)4042(22)197546819h41015184344H1114H213H3(H23646)(H37383947)t35m0s1
MFCD32650551
ZINC001848443127

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Available files

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