Vitas-M small molecule compound
ethyl 2-{3-ethoxy-4-[(phenylcarbonyl)oxy]phenyl}-4-oxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Catalog ID
STK382497
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1)C1NC(=O)c2c(N1)sc1c2CCN(C1)C(=O)OCC
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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 C27H27N3O6S MW 521.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O6S/c1-3-34-20-14-17(10-11-19(20)36-26(32)16-8-6-5-7-9-16)23-28-24(31)22-18-12-13-30(27(33)35-4-2)15-21(18)37-25(22)29-23/h5-11,14,23,29H,3-4,12-13,15H2,1-2H3,(H,28,31)InChIKey
PCTVDLBHUGUODW-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CN(CC4)C(=O)OCC)C(=O)N2)OC(=O)C5=CC=CC=C5
ethyl2(3ethoxy4((phenylcarbonyl)oxy)phenyl)4oxo134568hexahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
ethyl2(4benzoyloxy3ethoxyphenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
InChI=1SC27H27N3O6Sc1334201417(101119(20)3626(32)168657916)232824(31)2218121330(27(33)3542)1521(18)3725(22)2923h511142329H34121315H212H3(H2831)
MFCD02916207
ZINC000015945229
ZINC000015945231
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