Vitas-M small molecule compound
N-(4-oxo-4-{[(8xi,9xi,14xi)-3-oxoandrost-4-en-17-yl]oxy}butanoyl)glycyltryptophan
Catalog ID
STL524680
SMILES O=C(CCC(=O)OC1CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)NCC(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2
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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 C36H45N3O7 MW 631.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H45N3O7/c1-35-15-13-23(40)18-22(35)7-8-25-26-9-10-30(36(26,2)16-14-27(25)35)46-33(43)12-11-31(41)38-20-32(42)39-29(34(44)45)17-21-19-37-28-6-4-3-5-24(21)28/h3-6,18-19,25-27,29-30,37H,7-17,20H2,1-2H3,(H,38,41)(H,39,42)(H,44,45)/t25?,26?,27?,29?InChIKey
YPTHWRWDYUNCCA-BGSXCSICSA-NSynonyms
135638967
2((2((4(((10~(R)13~(S))1013dimethyl3oxo126789111214151617dodecahydrocyclopenta(a)phenanthren17yl)oxy)4oxobutanoyl)amino)acetyl)amino)3(1~(H)indol3yl)propanoicacid
2(2(4(((8R9S10R13S14S)1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)oxy)4oxobutanamido)acetamido)3(1Hindol3yl)propanoicacid
InChI=1SC36H45N3O7c135151323(40)1822(35)78252691030(36(262)161427(25)35)4633(43)121131(41)382032(42)3929(34(44)45)1721193728643524(21)28h3618192527293037H71720H212H3(H3841)(H3942)(H4445)t25?26?27?29?30?3536m0s1
MFCD02057857
N(4oxo4(((8xi9xi14xi)3oxoandrost4en17yl)oxy)butanoyl)glycyltryptophan
O=C(CCC(=O)OC1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)NCC(=O)NC(C(=O)O)Cc1c(nH)c2c1cccc2
ZINC001772491918
ZINC001772491924
Check stock
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