Vitas-M small molecule compound
(8xi,9xi,14xi,16xi,17xi)-26-(acetylamino)-16-ethylfurosta-5,20(22)-dien-3-yl butanoate
Catalog ID
STL526616
SMILES CCCC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CC3(C2C(=C(O3)CCC(CNC(=O)C)C)C)CC)C)C1)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 C35H55NO4 MW 553.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H55NO4/c1-8-10-31(38)39-26-15-17-33(6)25(19-26)12-13-27-28(33)16-18-34(7)29(27)20-35(9-2)32(34)23(4)30(40-35)14-11-22(3)21-36-24(5)37/h12,22,26-29,32H,8-11,13-21H2,1-7H3,(H,36,37)/t22?,26?,27?,28?,29?,32?,33-,34-,35?/m0/s1InChIKey
NKLIUXNBHJPGOG-VTXDQRELSA-NSynonyms
((9~(S)13~(R))6(4acetamido3methylbutyl)4ethyl7913trimethyl5oxapentacyclo(10800^(29)0^(48)0^(1318))icosa618dien16yl)butanoate
(4R6aR6bS8aS8bS11aS12aS12bS)10((S)4acetamido3methylbutyl)11aethyl6a8a9trimethyl34566a6b788a8b11a1212a12btetradecahydro1Hnaphtho(2145)indeno(21b)furan4ylbutyrate
(8xi9xi14xi16xi17xi)26(acetylamino)16ethylfurosta520(22)dien3ylbutanoate
44665907
CCCC(=O)O(C@@H)1CC(C@)2(C(=CC(C@@H)3(C@@H)2CC(C@)2((C@H)3C(C@)3((C@@H)2C(=C(O3)CC(C@@H)(CNC(=O)C)C)C)CC)C)C1)C
InChI=1SC35H55NO4c181031(38)3926151733(6)25(1926)12132728(33)161834(7)29(27)2035(92)32(34)23(4)30(4035)141122(3)213624(5)37h1222262932H8111321H217H3(H3637)t22?26?27?28?29?32?333435?m0s1
MFCD03006112
ZINC000253501871
ZINC000253501878
Check stock
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Check stock on Vitas-MAvailable files
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