Vitas-M small molecule compound
4-[(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-2-hydroxy-3,3-dimethylbutanoic acid
Catalog ID
STL527207
SMILES O=C(NCC(C(C(=O)O)O)(C)C)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=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 C33H47NO10 MW 617.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H47NO10/c1-19(35)44-33(25(37)17-43-27(39)9-8-26(38)34-18-30(2,3)28(40)29(41)42)15-12-24-22-7-6-20-16-21(36)10-13-31(20,4)23(22)11-14-32(24,33)5/h16,22-24,28,40H,6-15,17-18H2,1-5H3,(H,34,38)(H,41,42)/t22?,23?,24?,28?,31-,32-,33-/m0/s1InChIKey
AAMAVZLXHPHUDQ-DNSAJTAASA-NSynonyms
4((4(((8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl)oxy)4oxobutanoyl)amino)2hydroxy33dimethylbutanoicacid
4((4(2((10~(R)13~(S)17~(R))17acetyloxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)2hydroxy33dimethylbutanoicacid
4(4(2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)2hydroxy33dimethylbutanoicacid
44662207
InChI=1SC33H47NO10c119(35)4433(25(37)174327(39)9826(38)341830(23)28(40)29(41)42)1512242276201621(36)101331(204)23(22)111432(2433)5h1622242840H6151718H215H3(H3438)(H4142)t22?23?24?28?313233m0s1
MFCD03266650
O=C(NCC(C(C(=O)O)O)(C)C)CCC(=O)OCC(=O)(C@)1(CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)OC(=O)C
ZINC000253504000
ZINC000253504022
Check stock
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Check stock on Vitas-MAvailable files
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