Vitas-M small molecule compound
[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino](phenyl)acetic acid
Catalog ID
STL527033
SMILES O=C(NC(c1ccccc1)C(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C
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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 C33H39NO9 MW 593.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H39NO9/c1-31-14-12-21(35)16-20(31)8-9-22-23-13-15-33(42,32(23,2)17-24(36)28(22)31)25(37)18-43-27(39)11-10-26(38)34-29(30(40)41)19-6-4-3-5-7-19/h3-7,16,22-23,28-29,42H,8-15,17-18H2,1-2H3,(H,34,38)(H,40,41)/t22?,23?,28?,29?,31-,32-,33-/m0/s1InChIKey
BMMIHPVNURNNGG-RSSKJFLNSA-NSynonyms
((4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)amino)(phenyl)aceticacid
2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)2phenylaceticacid
2(4(2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)2phenylaceticacid
44663446
InChI=1SC33H39NO9c131141221(35)1620(31)892223131533(4232(232)1724(36)28(22)31)25(37)184327(39)111026(38)3429(30(40)41)196435719h37162223282942H8151718H212H3(H3438)(H4041)t22?23?28?29?313233m0s1
MFCD03266557
O=C(NC(c1ccccc1)C(=O)O)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
ZINC000253503009
ZINC000253503015
Check stock
See real-time availability and sample size for STL527033 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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