Vitas-M small molecule compound
N-{6-[(4-{[(9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]hexanoyl}tryptophan
Catalog ID
STL007568
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)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 C42H55N3O9 MW 745.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H55N3O9/c1-40-18-15-28(46)23-27(40)11-12-30-31(40)16-19-41(2)32(30)17-20-42(41,53)35(47)25-54-38(50)14-13-36(48)43-21-7-3-4-10-37(49)45-34(39(51)52)22-26-24-44-33-9-6-5-8-29(26)33/h5-6,8-9,23-24,30-32,34,44,53H,3-4,7,10-22,25H2,1-2H3,(H,43,48)InChIKey
PYMRPIRPJGSGSS-XKTRRXQWSA-NSynonyms
2(6((4(2((8R10R13S17R)17hydroxy1013dimethyl3oxo267891112141516decahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)hexanoylamino)3(1Hindol3yl)propanoicacid
2(6(4(2((8R10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)hexanamido)3(1Hindol3yl)propanoicacid
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)COC(=O)CCC(=O)NCCCCCC(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)O)O)C
InChI=1SC42H55N3O9c140181528(46)2327(40)11123031(40)161941(2)32(30)172042(4153)35(47)255438(50)141336(48)43217341037(49)4534(39(51)52)2226244433965829(26)33h568923243032344453H347102225H212H3(H4348)(H4549)(H5152)t3031?32?34?40+41+42+m1s1
MFCD06765122
N(6((4(((9XI14XI)17HYDROXY320DIOXOPREGN4EN21YL)OXY)4OXOBUTANOYL)AMINO)HEXANOYL)TRYPTOPHAN
O=C(CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1(C@H)2CCC2=CC(=O)CC(C@)12C)NCCCCCC(=O)NC(C(=O)O)Cc1c(nH)c2c1cccc2
ZINC000079221234
ZINC000253503478
Check stock
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