Vitas-M small molecule compound
4-({(4aS,6aS,12aS)-8-[4-(acetyloxy)butyl]-4a,6a,7-trimethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12,12a-hexadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-2-yl}oxy)-4-oxobutanoic acid (non-preferred name)
Catalog ID
STL526806
SMILES O=C(OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC1C2C(=C(O1)CCCCOC(=O)C)C)C)C)CCC(=O)O
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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 C32H48O7 MW 544.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H48O7/c1-19-26(7-5-6-16-37-20(2)33)39-27-18-25-23-9-8-21-17-22(38-29(36)11-10-28(34)35)12-14-31(21,3)24(23)13-15-32(25,4)30(19)27/h21-25,27,30H,5-18H2,1-4H3,(H,34,35)/t21-,22?,23?,24?,25?,27?,30?,31-,32-/m0/s1InChIKey
FWWDAIDZGHJROP-AWKJVDRRSA-NSynonyms
16397445
4(((2aS6aS8aS)10(4acetoxybutyl)6a8a9trimethyl22a34566a6b788a8b11a1212a12bhexadecahydro1Hnaphtho(2145)indeno(21b)furan4yl)oxy)4oxobutanoicacid
4(((4aS6aS12aS)8(4(acetyloxy)butyl)4a6a7trimethyl2344a4b566a6b9a1010a10b111212ahexadecahydro1Hnaphtho(2145)indeno(21b)furan2yl)oxy)4oxobutanoicacid(nonpreferredname)
4(((9~(S)13~(S)18~(S))6(4acetyloxybutyl)7913trimethyl5oxapentacyclo(10800^(29)0^(48)0^(1318))icos6en16yl)oxy)4oxobutanoicacid
InChI=1SC32H48O7c11926(756163720(2)33)392718252398211722(3829(36)111028(34)35)121431(213)24(23)131532(254)30(19)27h21252730H518H214H3(H3435)t2122?23?24?25?27?30?3132m0s1
MFCD03006003
O=C(OC1CC(C@)2((C@H)(C1)CCC1C2CC(C@)2(C1CC1C2C(=C(O1)CCCCOC(=O)C)C)C)C)CCC(=O)O
ZINC000012660565
ZINC000253499389
Check stock
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