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-[2-(2-phenylethyl)-1H-benzimidazol-6-yl]alaninamide
Catalog ID
STL547095
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)Nc2ccc3c(c2)[nH]c(n3)CCc2ccccc2)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 C39H41N5O6 MW 675.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H41N5O6/c1-22(39(47)42-26-13-16-30-32(20-26)44-35(43-30)18-11-24-9-7-6-8-10-24)40-31-17-14-27-28(21-33(31)46)29(41-23(2)45)15-12-25-19-34(48-3)37(49-4)38(50-5)36(25)27/h6-10,13-14,16-17,19-22,29H,11-12,15,18H2,1-5H3,(H,40,46)(H,41,45)(H,42,47)InChIKey
OEYQEKBCVARNGX-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2phenethyl1Hbenzo(d)imidazol5yl)propanamide
122169694
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(2phenylethyl)3~(H)benzimidazol5yl)propanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)Nc2ccc3c(c2)nc((nH)3)CCc2ccccc2)C)NC(=O)C)cc(c1OC)OC
InChI=1SC39H41N5O6c122(39(47)422613163032(2026)4435(4330)18112497681024)403117142728(2133(31)46)29(4123(2)45)1512251934(483)37(494)38(505)36(25)27h61013141617192229H11121518H215H3(H4046)(H4145)(H4247)(H4344)
MFCD31756505
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(2phenylethyl)1Hbenzimidazol6yl)alaninamide
ZINC000263585955
ZINC000409414784
Check stock
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Check stock on Vitas-MAvailable files
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