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-(1,3,5-trimethyl-1H-pyrazol-4-yl)-L-isoleucinamide
Catalog ID
STL578773
SMILES CC[C@H]([C@@H](C(=O)Nc1c(C)nn(c1C)C)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 C33H43N5O6 MW 605.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H43N5O6/c1-10-17(2)29(33(41)36-30-18(3)37-38(6)19(30)4)35-25-14-12-22-23(16-26(25)40)24(34-20(5)39)13-11-21-15-27(42-7)31(43-8)32(44-9)28(21)22/h12,14-17,24,29H,10-11,13H2,1-9H3,(H,34,39)(H,35,40)(H,36,41)/t17-,24+,29+/m1/s1InChIKey
ZOVFXUFVGOBDHM-NGXXPWECSA-NSynonyms
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(135trimethyl1Hpyrazol4yl)pentanamide
CC(C@H)((C@@H)(C(=O)Nc1c(C)nn(c1C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H43N5O6c11017(2)29(33(41)363018(3)3738(6)19(30)4)352514122223(1626(25)40)24(3420(5)39)1311211527(427)31(438)32(449)28(21)22h1214172429H101113H219H3(H3439)(H3540)(H3641)t1724+29+m1s1
MFCD33397224
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(135trimethyl1Hpyrazol4yl)Lisoleucinamide
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