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]alanyl}imino)-2,3-dihydro-1,3-thiazol-4-yl]acetate
Catalog ID
STL543939
SMILES CCOC(=O)Cc1cs/c(=N\C(=O)C(Nc2ccc3c(cc2=O)C(CCc2c3c(OC)c(c(c2)OC)OC)NC(=O)C)C)/[nH]1
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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 C31H36N4O8S MW 624.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N4O8S/c1-7-43-26(38)13-19-15-44-31(34-19)35-30(39)16(2)32-23-11-9-20-21(14-24(23)37)22(33-17(3)36)10-8-18-12-25(40-4)28(41-5)29(42-6)27(18)20/h9,11-12,14-16,22H,7-8,10,13H2,1-6H3,(H,32,37)(H,33,36)(H,34,35,39)InChIKey
OESIRDLLFFLKKA-UHFFFAOYSA-NSynonyms
110210133
ethyl((2Z)2(((Z)N(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)alanyl)imino)23dihydro13thiazol4yl)acetate
ethyl2(2(2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoylamino)13thiazol4yl)acetate
InChI=1SC31H36N4O8Sc174326(38)1319154431(3419)3530(39)16(2)32231192021(1424(23)37)22(3317(3)36)108181225(404)28(415)29(426)27(18)20h91112141622H781013H216H3(H3237)(H3336)(H343539)
MFCD31755947
ZINC000217880925
ZINC000252539624
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