Vitas-M small molecule compound
methyl (2Z)-2-({(Z)-N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]isoleucyl}imino)-5-(2-methylpropyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL540325
SMILES CCC(C(C(=O)/N=c\1/[nH]c(c(s1)CC(C)C)C(=O)OC)Nc1ccc2c(cc1=O)C(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C36H46N4O8S MW 694.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H46N4O8S/c1-10-19(4)30(34(43)40-36-39-31(35(44)48-9)28(49-36)15-18(2)3)38-25-14-12-22-23(17-26(25)42)24(37-20(5)41)13-11-21-16-27(45-6)32(46-7)33(47-8)29(21)22/h12,14,16-19,24,30H,10-11,13,15H2,1-9H3,(H,37,41)(H,38,42)(H,39,40,43)InChIKey
GIHBIGRSCJGZSS-UHFFFAOYSA-NSynonyms
75531969
InChI=1SC36H46N4O8Sc11019(4)30(34(43)40363931(35(44)489)28(4936)1518(2)3)382514122223(1726(25)42)24(3720(5)41)1311211627(456)32(467)33(478)29(21)22h121416192430H10111315H219H3(H3741)(H3842)(H394043)
methyl(2Z)2(((Z)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)isoleucyl)imino)5(2methylpropyl)23dihydro13thiazole4carboxylate
methyl2((2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)5(2methylpropyl)13thiazole4carboxylate
MFCD31755058
ZINC000206240618
ZINC000253369657
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