Vitas-M small molecule compound
(3S,10R,13R)-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 3-chloropropanoate (non-preferred name)
Catalog ID
STL525643
SMILES CCCCCCCCC1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)CCCl
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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 C30H49ClO2 MW 477.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H49ClO2/c1-4-5-6-7-8-9-10-22-12-14-26-25-13-11-23-21-24(33-28(32)17-20-31)15-18-30(23,3)27(25)16-19-29(22,26)2/h11,22,24-27H,4-10,12-21H2,1-3H3/t22?,24-,25?,26?,27?,29+,30-/m0/s1InChIKey
PRYJZWFEVZHKQI-XLLFJPHCSA-NSynonyms
((3~(S)10~(R)13~(R))1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)3chloropropanoate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl3chloropropanoate
(3S10R13R)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3yl3chloropropanoate(nonpreferredname)
16395972
CCCCCCCCC1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)CCCl
InChI=1SC30H49ClO2c14567891022121426251311232124(3328(32)172031)151830(233)27(25)161929(2226)2h11222427H4101221H213H3t22?2425?26?27?29+30m0s1
MFCD01084314
ZINC000070665739
ZINC000253499854
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