Vitas-M small molecule compound
(3beta,8xi,9xi,14xi,22E,24xi)-stigmasta-5,22-dien-3-yl 3,4,4-trichlorobut-3-enoate
Catalog ID
STK683563
SMILES CCC(C(C)C)/C=C/[C@H]([C@H]1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)CC(=C(Cl)Cl)Cl)C
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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 C33H49Cl3O2 MW 584.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H49Cl3O2/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(38-30(37)19-29(34)31(35)36)14-16-32(23,5)28(25)15-17-33(26,27)6/h8-10,20-22,24-28H,7,11-19H2,1-6H3/b9-8+/t21-,22?,24+,25?,26-,27?,28?,32+,33-/m1/s1InChIKey
BZEKFPUECUTWMF-XBKSYRJISA-NSynonyms
((3S10R13R17R)17((E2R)5ethyl6methylhept3en2yl)1013dimethyl234789111214151617dodecahydro1Hcyclopenta(a)phenanthren3yl)344trichlorobut3enoate
(3beta8xi9xi14xi22E24xi)stigmasta522dien3yl344trichlorobut3enoate
CCC(C(C)C)C=C(C@H)((C@H)1CCC2(C@)1(C)CCC1C2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)CC(=C(Cl)Cl)Cl)C
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC(=C(Cl)Cl)Cl)C)C)C(C)C
InChI=1SC33H49Cl3O2c1722(20(2)3)9821(4)26121327251110231824(3830(37)1929(34)31(35)36)141632(235)28(25)151733(2627)6h81020222428H71119H216H3b98+t2122?24+25?2627?28?32+33m1s1
MFCD05258241
ZINC000252430653
ZINC000253506477
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.