Vitas-M small molecule compound
N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[3-(2-cyclopentylethyl)-1H-1,2,4-triazol-5-yl]valinamide
Catalog ID
STL546200
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)Nc2[nH]nc(n2)CCC2CCCC2)C(C)C)NC(=O)C)cc(c1OC)OC
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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 C35H46N6O6 MW 646.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H46N6O6/c1-19(2)31(34(44)39-35-38-29(40-41-35)16-11-21-9-7-8-10-21)37-26-15-13-23-24(18-27(26)43)25(36-20(3)42)14-12-22-17-28(45-4)32(46-5)33(47-6)30(22)23/h13,15,17-19,21,25,31H,7-12,14,16H2,1-6H3,(H,36,42)(H,37,43)(H2,38,39,40,41,44)InChIKey
SQNZABIPTKALOQ-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(5(2cyclopentylethyl)1H124triazol3yl)3methylbutanamide
122169464
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(5(2cyclopentylethyl)1~(H)124triazol3yl)3methylbutanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2n(nH)c(n2)CCC2CCCC2)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC35H46N6O6c119(2)31(34(44)39353829(404135)1611219781021)372615132324(1827(26)43)25(3620(3)42)1412221728(454)32(465)33(476)30(22)23h13151719212531H7121416H216H3(H3642)(H3743)(H23839404144)
MFCD31756362
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(2cyclopentylethyl)1H124triazol5yl)valinamide
ZINC000253412982
ZINC000409413714
Check stock
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Check stock on Vitas-MAvailable files
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