Vitas-M small molecule compound
ethyl (2Z)-2-({(Z)-N-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]methionyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL543347
SMILES CSCCC(C(=O)/N=c/1\scc([nH]1)C(=O)OCC)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 C32H38N4O8S2 MW 670.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N4O8S2/c1-7-44-31(40)24-16-46-32(35-24)36-30(39)23(12-13-45-6)34-22-11-9-19-20(15-25(22)38)21(33-17(2)37)10-8-18-14-26(41-3)28(42-4)29(43-5)27(18)19/h9,11,14-16,21,23H,7-8,10,12-13H2,1-6H3,(H,33,37)(H,34,38)(H,35,36,39)InChIKey
TVLULZSNKURGSQ-UHFFFAOYSA-NSynonyms
110210242
ethyl(2Z)2(((Z)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)methionyl)imino)23dihydro13thiazole4carboxylate
ethyl2((2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanylbutanoyl)amino)13thiazole4carboxylate
InChI=1SC32H38N4O8S2c174431(40)24164632(3524)3630(39)23(1213456)34221191920(1525(22)38)21(3317(2)37)108181426(413)28(424)29(435)27(18)19h91114162123H78101213H216H3(H3337)(H3438)(H353639)
MFCD31755830
ZINC000150652967
ZINC000252551033
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