Vitas-M small molecule compound
(10R,13S,16R,17R)-16,17-dihydroxy-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-17-carbonitrile
Catalog ID
STL525968
SMILES N#C[C@@]1(O)[C@H](O)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC1(C2)OCCO1
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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 C22H31NO4 MW 373.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31NO4/c1-19-7-8-21(26-9-10-27-21)12-14(19)3-4-15-16(19)5-6-20(2)17(15)11-18(24)22(20,25)13-23/h3,15-18,24-25H,4-12H2,1-2H3/t15?,16?,17?,18-,19+,20+,22-/m1/s1InChIKey
VZFYGLAXUCFBQI-PQWUVQMUSA-NSynonyms
(10~(R)13~(S)16~(R)17~(R))1617dihydroxy1013dimethylspiro(13dioxolane23247891112141516decahydro1~(H)cyclopenta(a)phenanthrene)17carbonitrile
(10R13S16R17R)1617dihydroxy1013dimethyl1247891011121314151617tetradecahydrospiro(cyclopenta(a)phenanthrene32(13)dioxolane)17carbonitrile
16396521
InChI=1SC22H31NO4c1197821(269102721)1214(19)341516(19)5620(2)17(15)1118(24)22(2025)1323h315182425H412H212H3t15?16?17?1819+20+22m1s1
MFCD01881422
N#C(C@@)1(O)(C@H)(O)CC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CCC1(C2)OCCO1
ZINC000070669930
ZINC000253500095
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