Vitas-M small molecule compound
ethyl (2E)-2-({(E)-N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]methionyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL543589
SMILES CSCCC(C(=O)/N=c/1\[nH]c(c(s1)C(=O)OCC)C)Nc1ccc2c(cc1=O)C(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 C33H40N4O8S2 MW 684.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H40N4O8S2/c1-8-45-32(41)30-17(2)34-33(47-30)37-31(40)24(13-14-46-7)36-23-12-10-20-21(16-25(23)39)22(35-18(3)38)11-9-19-15-26(42-4)28(43-5)29(44-6)27(19)20/h10,12,15-16,22,24H,8-9,11,13-14H2,1-7H3,(H,35,38)(H,36,39)(H,34,37,40)InChIKey
UZFWOURFXDDMIJ-UHFFFAOYSA-NSynonyms
110210374
ethyl(2E)2(((E)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)methionyl)imino)4methyl23dihydro13thiazole5carboxylate
ethyl2((2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)4methyl13thiazole5carboxylate
InChI=1SC33H40N4O8S2c184532(41)3017(2)3433(4730)3731(40)24(1314467)362312102021(1625(23)39)22(3518(3)38)119191526(424)28(435)29(446)27(19)20h101215162224H89111314H217H3(H3538)(H3639)(H343740)
MFCD31755879
ZINC000150653303
ZINC000252552806
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