Vitas-M small molecule compound
4-oxo-4-{[(8xi,9xi,14xi)-3-oxopregn-4-en-20-yn-17-yl]oxy}butanoic acid
Catalog ID
STL003444
SMILES C#C[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)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 C25H32O5 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32O5/c1-4-25(30-22(29)8-7-21(27)28)14-11-20-18-6-5-16-15-17(26)9-12-23(16,2)19(18)10-13-24(20,25)3/h1,15,18-20H,5-14H2,2-3H3,(H,27,28)/t18?,19?,20?,23-,24-,25+/m0/s1InChIKey
WVQWHYYYWVTTAS-LDGXGUHCSA-NSynonyms
4(((10R13S17S)17ethynyl1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanoicacid
4(((8R9S10R13S14S17S)17ethynyl1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanoicacid
4OXO4(((8XI9XI14XI)3OXOPREGN4EN20YN17YL)OXY)BUTANOICACID
C#C(C@)1(CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)OC(=O)CCC(=O)O
C#C(C@)1(CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C)OC(=O)CCC(=O)O
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C#C)OC(=O)CCC(=O)O)C
InChI=1SC25H32O5c1425(3022(29)8721(27)28)1411201865161517(26)91223(162)19(18)101324(2025)3h1151820H514H223H3(H2728)t18?19?20?232425+m0s1
ZINC000051347551
ZINC000051347557
Check stock
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