Vitas-M small molecule compound
(1S,3aS,3bR,5aS,13aS,13bS,15aS)-1,13a,15a-trimethyl-2,3,3a,3b,4,5,5a,6,13,13a,13b,14,15,15a-tetradecahydro-1H-cyclopenta[5,6]naphtho[1,2-g]tetrazolo[1,5-a]quinazolin-1-ol
Catalog ID
STL539833
SMILES C[C@]12Cc3cnc4n(c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)nnn4
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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 C22H31N5O MW 381.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5O/c1-20-11-13-12-23-19-24-25-26-27(19)18(13)10-14(20)4-5-15-16(20)6-8-21(2)17(15)7-9-22(21,3)28/h12,14-17,28H,4-11H2,1-3H3/t14-,15+,16-,17-,20-,21-,22-/m0/s1InChIKey
VGCHGCBICJGTNV-ARAPHXRWSA-NSynonyms
74747-47-0(1~(S)2~(S)5~(S)6~(S)9~(S)10~(R)13~(S))156trimethyl1617181921pentazahexacyclo(111100^(210)0^(59)0^(1523)0^(1620))tetracosa15(23)171921tetraen6ol
(1S3aS3bR5aS13aS13bS15aS)113a15atrimethyl233a3b455a61313a13b141515atetradecahydro1Hcyclopenta(56)naphtho(12g)tetrazolo(15a)quinazolin1ol
71826648
74747470
C(C@)12Cc3cnc4n(c3C(C@@H)1CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@)2(C)O)C)nnn4
InChI=1SC22H31N5Oc120111312231924252627(19)18(13)1014(20)451516(20)6821(2)17(15)7922(213)28h12141728H411H213H3t1415+1617202122m0s1
ZINC000096114848
ZINC96114848
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