Vitas-M small molecule compound
methyl (2Z)-2-[(6-{[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoyl)imino]-5-methyl-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL543823
SMILES COC(=O)c1[nH]/c(=N/C(=O)CCCCCNc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)/sc1C
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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/c1-18-29(32(41)45-6)37-33(46-18)36-27(40)10-8-7-9-15-34-24-14-12-21-22(17-25(24)39)23(35-19(2)38)13-11-20-16-26(42-3)30(43-4)31(44-5)28(20)21/h12,14,16-17,23H,7-11,13,15H2,1-6H3,(H,34,39)(H,35,38)(H,36,37,40)InChIKey
KBKOTURBWYFMDX-UHFFFAOYSA-NSynonyms
110209920
InChI=1SC33H40N4O8Sc11829(32(41)456)3733(4618)3627(40)1087915342414122122(1725(24)39)23(3519(2)38)1311201626(423)30(434)31(445)28(20)21h1214161723H7111315H216H3(H3439)(H3538)(H363740)
methyl(2Z)2((6((7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)imino)5methyl23dihydro13thiazole4carboxylate
methyl2(6((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoylamino)5methyl13thiazole4carboxylate
MFCD31755920
ZINC000150653744
ZINC000252536987
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