Vitas-M small molecule compound
N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]valine
Catalog ID
STL373145
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NC(C(=O)O)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 C26H32N2O7 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O7/c1-13(2)23(26(31)32)28-19-10-8-16-17(12-20(19)30)18(27-14(3)29)9-7-15-11-21(33-4)24(34-5)25(35-6)22(15)16/h8,10-13,18,23H,7,9H2,1-6H3,(H,27,29)(H,28,30)(H,31,32)InChIKey
JZDLAUSYEAFGDD-UHFFFAOYSA-NSynonyms
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanoicacid
2((7acetamido123trimethoxy9oxo67dihydro5Hbenzo(a)heptalen10yl)amino)3methylbutanoicacid
CC(C)C(C(=O)O)NC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)O)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC26H32N2O7c113(2)23(26(31)32)28191081617(1220(19)30)18(2714(3)29)97151121(334)24(345)25(356)22(15)16h810131823H79H216H3(H2729)(H2830)(H3132)
MFCD28143045
N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)valine
ZINC000096113661
ZINC000098063917
Check stock
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Check stock on Vitas-MAvailable files
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