Vitas-M small molecule compound
N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-L-isoleucinamide
Catalog ID
STL542345
SMILES CC[C@H]([C@@H](C(=O)NCC1CC2CC1C=C2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
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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 C35H45N3O6 MW 603.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H45N3O6/c1-7-19(2)32(35(41)36-18-24-15-21-8-9-22(24)14-21)38-28-13-11-25-26(17-29(28)40)27(37-20(3)39)12-10-23-16-30(42-4)33(43-5)34(44-6)31(23)25/h8-9,11,13,16-17,19,21-22,24,27,32H,7,10,12,14-15,18H2,1-6H3,(H,36,41)(H,37,39)(H,38,40)/t19-,21InChIKey
FAHOFSAGQIFZJZ-XGDOFIJYSA-NSynonyms
1574252-81-5(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2bicyclo(221)hept5enylmethyl)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N((2R)bicyclo(221)hept5en2ylmethyl)3methylpentanamide
1574252815
75491736
CC(C@H)((C@@H)(C(=O)NCC1CC2CC1C=C2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H45N3O6c1719(2)32(35(41)36182415218922(24)1421)382813112526(1729(28)40)27(3720(3)39)1210231630(424)33(435)34(446)31(23)25h8911131617192122242732H71012141518H216H3(H3641)(H3739)(H3840)t1921?22?24?27+32+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(bicyclo(221)hept5en2ylmethyl)Lisoleucinamide
ZINC000108449385
ZINC000108449388
Check stock
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Check stock on Vitas-MAvailable files
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