Vitas-M small molecule compound
4-({6-[(4-{[(9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]hexanoyl}amino)-3-phenylbutanoic acid
Catalog ID
STL007795
SMILES O=C(CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1[C@H]2CCC2=CC(=O)CC[C@]12C)NCCCCCC(=O)NCC(c1ccccc1)CC(=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 C41H56N2O9 MW 720.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H56N2O9/c1-39-19-16-30(44)24-29(39)12-13-31-32(39)17-20-40(2)33(31)18-21-41(40,51)34(45)26-52-38(50)15-14-36(47)42-22-8-4-7-11-35(46)43-25-28(23-37(48)49)27-9-5-3-6-10-27/h3,5-6,9-10,24,28,31-33,51H,4,7-8,11-23,25-26H2,1-2H3,(H,42,47)(H,43,46)InChIKey
ZXUPZKALWACUFH-DBZUZWCQSA-NSynonyms
4((6((4(((9XI14XI)17HYDROXY320DIOXOPREGN4EN21YL)OXY)4OXOBUTANOYL)AMINO)HEXANOYL)AMINO)3PHENYLBUTANOICACID
4(6((4(2((8R10R13S17R)17hydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)hexanoylamino)3phenylbutanoicacid
4(6(4(2((8R10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)hexanamido)3phenylbutanoicacid
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NCC(CC(=O)O)C5=CC=CC=C5)O)C
InChI=1SC41H56N2O9c139191630(44)2429(39)12133132(39)172040(2)33(31)182141(4051)34(45)265238(50)151436(47)42228471135(46)432528(2337(48)49)2795361027h3569102428313351H47811232526H212H3(H4247)(H4346)(H4849)t28?3132?33?39+40+41+m1s1
MFCD06769131
O=C(CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1(C@H)2CCC2=CC(=O)CC(C@)12C)NCCCCCC(=O)NCC(c1ccccc1)CC(=O)O
ZINC000079221786
ZINC000253502079
Check stock
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