Vitas-M small molecule compound
methyl N-(6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoyl)-beta-alaninate
Catalog ID
STL545491
SMILES COC(=O)CCNC(=O)CCCCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)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 C31H41N3O8 MW 583.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41N3O8/c1-19(35)34-23-12-10-20-17-26(39-2)30(41-4)31(42-5)29(20)21-11-13-24(25(36)18-22(21)23)32-15-8-6-7-9-27(37)33-16-14-28(38)40-3/h11,13,17-18,23H,6-10,12,14-16H2,1-5H3,(H,32,36)(H,33,37)(H,34,35)/t23-/m0/s1InChIKey
XYWROBTUPGDDEB-QHCPKHFHSA-NSynonyms
(S)methyl3(6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamido)propanoate
110207624
COC(=O)CCNC(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC31H41N3O8c119(35)34231210201726(392)30(414)31(425)29(20)21111324(25(36)1822(21)23)3215867927(37)33161428(38)403h1113171823H610121416H215H3(H3236)(H3337)(H3435)t23m0s1
methyl3(6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoylamino)propanoate
methylN(6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)betaalaninate
ZINC000253414612
ZINC253414612
Check stock
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