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-[3-(dimethylamino)propyl]-L-valinamide
Catalog ID
STL546475
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCCN(C)C)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 C31H44N4O6 MW 568.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H44N4O6/c1-18(2)28(31(38)32-14-9-15-35(4)5)34-24-13-11-21-22(17-25(24)37)23(33-19(3)36)12-10-20-16-26(39-6)29(40-7)30(41-8)27(20)21/h11,13,16-18,23,28H,9-10,12,14-15H2,1-8H3,(H,32,38)(H,33,36)(H,34,37)/t23-,28-/m0/s1InChIKey
KTISMPRPMWTYRV-FIPFOOKPSA-NSynonyms
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(dimethylamino)propyl)3methylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(dimethylamino)propyl)3methylbutanamide
110207550
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCCN(C)C)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC31H44N4O6c118(2)28(31(38)321491535(4)5)342413112122(1725(24)37)23(3319(3)36)1210201626(396)29(407)30(418)27(20)21h111316182328H910121415H218H3(H3238)(H3336)(H3437)t2328m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(dimethylamino)propyl)Lvalinamide
ZINC000253408460
ZINC253408460
Check stock
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Check stock on Vitas-MAvailable files
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