Vitas-M small molecule compound
4-oxo-4-{[(5alpha,8xi,9xi,14xi,16xi,17xi)-12-oxospirostan-3-yl]oxy}butanoic acid
Catalog ID
STL525692
SMILES CC1CC[C@@]2(OC1)OC1C([C@@H]2C)[C@@]2(C(C1)C1CC[C@@H]3[C@](C1CC2=O)(C)CCC(C3)OC(=O)CCC(=O)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 C31H46O7 MW 530.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H46O7/c1-17-9-12-31(36-16-17)18(2)28-24(38-31)14-23-21-6-5-19-13-20(37-27(35)8-7-26(33)34)10-11-29(19,3)22(21)15-25(32)30(23,28)4/h17-24,28H,5-16H2,1-4H3,(H,33,34)/t17?,18-,19-,20?,21?,22?,23?,24?,28?,29-,30+,31+/m0/s1InChIKey
NYKALECWBRSTCW-HRDLNHJRSA-NSynonyms
126961523
4oxo4(((2aS2R4R6aS8aS8bR9S11aS12bR)56a8a9tetramethyl8oxodocosahydrospiro(naphtho(2145)indeno(21b)furan102pyran)4yl)oxy)butanoicacid
4oxo4(((5alpha8xi9xi14xi16xi17xi)12oxospirostan3yl)oxy)butanoicacid
4oxo4((6~(R)7~(S)9~(S)13~(S)18~(S))57913tetramethyl10oxospiro(5oxapentacyclo(10800^(29)0^(48)0^(1318))icosane62oxane)16yl)oxybutanoicacid
CC1CC(C@@)2(OC1)O(C@@H)1(C@H)((C@@H)2C)(C@@)2(C(C1)(C@@H)1CC(C@@H)3(C@)(C1CC2=O)(C)CC(C@H)(C3)OC(=O)CCC(=O)O)C
InChI=1SC31H46O7c11791231(361617)18(2)2824(3831)14232165191320(3727(35)8726(33)34)101129(193)22(21)1525(32)30(2328)4h172428H516H214H3(H3334)t17?181920?21?22?23?24?28?2930+31+m0s1
MFCD02058027
ZINC001772491954
ZINC001772491957
Check stock
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Check stock on Vitas-MAvailable files
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