Vitas-M small molecule compound
(8xi,9xi,14xi,16xi,17xi)-26-(acetylamino)furosta-5,20(22)-dien-3-yl acetate
Catalog ID
STL524697
SMILES CC(CCC1=C(C)C2C(O1)CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=O)C)CNC(=O)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 C31H47NO4 MW 497.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H47NO4/c1-18(17-32-20(3)33)7-10-27-19(2)29-28(36-27)16-26-24-9-8-22-15-23(35-21(4)34)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18,23-26,28-29H,7,9-17H2,1-6H3,(H,32,33)/t18?,23?,24?,25?,26?,28?,29?,30-,31-/m0/s1InChIKey
FASZIBYTQUHVDL-YONKPPNYSA-NSynonyms
((9~(S)13~(R))6(4acetamido3methylbutyl)7913trimethyl5oxapentacyclo(10800^(29)0^(48)0^(1318))icosa618dien16yl)acetate
(6aR8aS)10(4acetamido3methylbutyl)6a8a9trimethyl34566a6b788a8b11a1212a12btetradecahydro1Hnaphtho(2145)indeno(21b)furan4ylacetate
(8xi9xi14xi16xi17xi)26(acetylamino)furosta520(22)dien3ylacetate
16396216
CC(CCC1=C(C)C2C(O1)CC1(C@)2(C)CCC2C1CC=C1(C@)2(C)CCC(C1)OC(=O)C)CNC(=O)C
InChI=1SC31H47NO4c118(173220(3)33)7102719(2)2928(3627)16262498221523(3521(4)34)111330(225)25(24)121431(2629)6h81823262829H7917H216H3(H3233)t18?23?24?25?26?28?29?3031m0s1
MFCD01081855
ZINC000253499302
ZINC000253499310
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