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-methyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL542245
SMILES CCC(C(C(=O)/N=c\1/[nH]c(c(s1)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 C33H40N4O8S MW 652.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N4O8S/c1-9-16(2)27(31(40)37-33-36-28(17(3)46-33)32(41)45-8)35-23-13-11-20-21(15-24(23)39)22(34-18(4)38)12-10-19-14-25(42-5)29(43-6)30(44-7)26(19)20/h11,13-16,22,27H,9-10,12H2,1-8H3,(H,34,38)(H,35,39)(H,36,37,40)InChIKey
RCLUOYOPFSGFIM-UHFFFAOYSA-NSynonyms
110210089
InChI=1SC33H40N4O8Sc1916(2)27(31(40)37333628(17(3)4633)32(41)458)352313112021(1524(23)39)22(3418(4)38)1210191425(425)29(436)30(447)26(19)20h1113162227H91012H218H3(H3438)(H3539)(H363740)
methyl(2Z)2(((Z)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)isoleucyl)imino)5methyl23dihydro13thiazole4carboxylate
methyl2((2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanoyl)amino)5methyl13thiazole4carboxylate
MFCD31755561
ZINC000252549290
ZINC000252549293
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