Vitas-M small molecule compound
4-{[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]methyl}cyclohexanecarboxylic acid
Catalog ID
STL528063
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C)NCC1CCC(CC1)C(=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 C33H45NO9 MW 599.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45NO9/c1-31-13-11-22(35)15-21(31)7-8-23-24-12-14-33(42,32(24,2)16-25(36)29(23)31)26(37)18-43-28(39)10-9-27(38)34-17-19-3-5-20(6-4-19)30(40)41/h15,19-20,23-24,29,42H,3-14,16-18H2,1-2H3,(H,34,38)(H,40,41)/t19?,20?,23?,24?,29?,31-,32-,33-/m0/s1InChIKey
YTMOSQMDKHNRID-QJCXKDMBSA-NSynonyms
4(((4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)amino)methyl)cyclohexanecarboxylicacid
4(((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)methyl)cyclohexane1carboxylicacid
4((4(2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)methyl)cyclohexanecarboxylicacid
44662698
InChI=1SC33H45NO9c131131122(35)1521(31)782324121433(4232(242)1625(36)29(23)31)26(37)184328(39)10927(38)3417193520(6419)30(40)41h15192023242942H3141618H212H3(H3438)(H4041)t19?20?23?24?29?313233m0s1
MFCD03849900
O=C(CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(=O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)NCC1CCC(CC1)C(=O)O
ZINC000253506850
ZINC000253506857
Check stock
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Check stock on Vitas-MAvailable files
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