Vitas-M small molecule compound
(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-ol
Catalog ID
STL452906
SMILES O[C@H]1CCC(=C)/C(=C\C=C\2/CCCC3(C2CCC3C(/C=C/C(C(C)C)C)C)C)/C1
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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 C28H44O MW 396.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20?,22?,25-,26?,27?,28?/m0/s1InChIKey
MECHNRXZTMCUDQ-HKRJEVCHSA-NSynonyms
(1S3Z)3((2E)2(1((E)56dimethylhept3en2yl)7amethyl233a567hexahydro1Hinden4ylidene)ethylidene)4methylidenecyclohexan1ol
(1SZ)3((E)2((1R7aR)1((2R5RE)56dimethylhept3en2yl)7amethylhexahydro1Hinden4(2H)ylidene)ethylidene)4methylenecyclohexanol
(3S5Z7E22E)910secoergosta571022tetraen3ol
(S)4METHYLENE3(2(7AMETHYL1((E)145TRIMETHYLHEX2ENYL)OCTAHYDROINDEN(4E)YLIDENE)ETH(Z)YLIDENE)CYCLOHEXANOL
CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChI=1SC28H44Oc119(2)20(3)91022(5)2615162723(871728(2627)6)1213241825(29)141121(24)4h9101213192022252729H478111418H21356H3b109+2312+2413t20?22?2526?27?28?m0s1
MFCD32649652
O(C@H)1CCC(=C)C(=CC=C2CCC(C@)3(C2CC(C@@H)3(C@@H)(C=C(C@@H)(C(C)C)C)C)C)C1
O(C@H)1CCC(=C)C(=CC=C2CCCC3(C2CCC3C(C=CC(C(C)C)C)C)C)C1
ZINC000043505259
ZINC000253390206
Check stock
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