Vitas-M small molecule compound
10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl tricyclo[3.3.1.1~3,7~]decane-1-carboxylate (non-preferred name)
Catalog ID
STL553641
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C12CC3CC(C2)CC(C1)C3
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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 C38H60O2 MW 548.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H60O2/c1-4-5-6-7-8-9-10-29-12-14-33-32-13-11-30-22-31(15-17-37(30,3)34(32)16-18-36(29,33)2)40-35(39)38-23-26-19-27(24-38)21-28(20-26)25-38/h11,26-29,31-34H,4-10,12-25H2,1-3H3InChIKey
YNHQSVAFFONAPB-UHFFFAOYSA-NSynonyms
(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)adamantane1carboxylate
(3S5S7S)(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yladamantane1carboxylate
1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yltricyclo(3311~37~)decane1carboxylate(nonpreferredname)
3726494
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C12CC3C(C@@H)(C2)CC(C1)C3
InChI=1SC38H60O2c14567891029121433321311302231(151737(303)34(32)161836(2933)2)4035(39)3823261927(2438)2128(2026)2538h1126293134H4101225H213H3
ZINC000070664723
ZINC000504632642
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