Vitas-M small molecule compound
26-(acetylamino)-22-oxo-16,23-cyclocholesta-5,16(23)-dien-3-yl acetate
Catalog ID
STK366234
SMILES CC(=O)NCC(CC1=C2CC3C(C2C(C1=O)C)(C)CCC1C3CC=C2C1(C)CCC(C2)OC(=O)C)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 C31H45NO4 MW 495.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H45NO4/c1-17(16-32-19(3)33)13-25-24-15-27-23-8-7-21-14-22(36-20(4)34)9-11-30(21,5)26(23)10-12-31(27,6)28(24)18(2)29(25)35/h7,17-18,22-23,26-28H,8-16H2,1-6H3,(H,32,33)InChIKey
KESBUZBXJMXUNA-UHFFFAOYSA-NSynonyms
(6aR8aS)11(3acetamido2methylpropyl)6a8a9trimethyl10oxo134566a6b788a8b9101212a12bhexadecahydropentaleno(21a)phenanthren4ylacetate
26(acetylamino)22oxo1623cyclocholesta516(23)dien3ylacetate
CC(=O)NCC(CC1=C2CC3(C@)(C2C(C1=O)C)(C)CCC1C3CC=C2(C@)1(C)CCC(C2)OC(=O)C)C
CC1C2C(=C(C1=O)CC(C)CNC(=O)C)CC3C2(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C
InChI=1SC31H45NO4c117(163219(3)33)13252415272387211422(3620(4)34)91130(215)26(23)101231(276)28(24)18(2)29(25)35h7171822232628H816H216H3(H3233)
MFCD00317342
ZINC000253498101
ZINC000253498104
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