Vitas-M small molecule compound

ethyl 2-(3-ethoxy-4-{[(2-iodophenyl)carbonyl]oxy}phenyl)-4-hydroxy-1,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate

Catalog ID
STK384055
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1I)C1N=C(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 C27H26IN3O6S MW 647.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26IN3O6S/c1-3-35-20-13-15(9-10-19(20)37-26(33)16-7-5-6-8-18(16)28)23-29-24(32)22-17-11-12-31(27(34)36-4-2)14-21(17)38-25(22)30-23/h5-10,13,23,30H,3-4,11-12,14H2,1-2H3,(H,29,32)
InChIKey
BPRCIJRJJBZYQO-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=CC(=C1)C2NC3=C(C4=C(S3)CN(CC4)C(=O)OCC)C(=O)N2)OC(=O)C5=CC=CC=C5I
ethyl2(3ethoxy4(((2iodophenyl)carbonyl)oxy)phenyl)4hydroxy1568tetrahydropyrido(4345)thieno(23d)pyrimidine7(2H)carboxylate
ethyl2(3ethoxy4(2iodobenzoyl)oxyphenyl)4oxo123568hexahydropyrido(23)thieno(24d)pyrimidine7carboxylate
InChI=1SC27H26IN3O6Sc1335201315(91019(20)3726(33)16756818(16)28)232924(32)2217111231(27(34)3642)1421(17)3825(22)3023h510132330H34111214H212H3(H2932)
MFCD03837332
ZINC000150401027
ZINC000150401031

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Available files

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