Vitas-M small molecule compound

7-tert-butyl-2-(4-ethoxy-3-methoxyphenyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol

Catalog ID
STK213657
SMILES CCOc1ccc(cc1OC)C1N=C(O)c2c(N1)sc1c2CCC(C1)C(C)(C)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 C23H30N2O3S MW 414.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N2O3S/c1-6-28-16-10-7-13(11-17(16)27-5)20-24-21(26)19-15-9-8-14(23(2,3)4)12-18(15)29-22(19)25-20/h7,10-11,14,20,25H,6,8-9,12H2,1-5H3,(H,24,26)
InChIKey
ALOZYSCSEFAKGN-UHFFFAOYSA-N
Synonyms

7tertbutyl2(4ethoxy3methoxyphenyl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
7tertbutyl2(4ethoxy3methoxyphenyl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCOC1=C(C=C(C=C1)C2NC3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N2)OC
InChI=1SC23H30N2O3Sc16281610713(1117(16)275)202421(26)19159814(23(23)4)1218(15)2922(19)2520h71011142025H68912H215H3(H2426)
MFCD07436932
ZINC000004783907
ZINC000004783913

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Available files

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