Vitas-M small molecule compound

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

Catalog ID
STL456219
SMILES OC1=NC(Nc2c1c1CCC(Cc1s2)C(C)(C)C)c1ccc2c(c1)OCO2

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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 C21H24N2O3S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3S/c1-21(2,3)12-5-6-13-16(9-12)27-20-17(13)19(24)22-18(23-20)11-4-7-14-15(8-11)26-10-25-14/h4,7-8,12,18,23H,5-6,9-10H2,1-3H3,(H,22,24)
InChIKey
BZOXZGJVHGZOBZ-UHFFFAOYSA-N
Synonyms

2(13benzodioxol5yl)7tertbutyl125678hexahydro(1)benzothieno(23d)pyrimidin4ol
2(13benzodioxol5yl)7tertbutyl235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC5=C(C=C4)OCO5
InChI=1SC21H24N2O3Sc121(23)12561316(912)272017(13)19(24)2218(2320)11471415(811)26102514h478121823H56910H213H3(H2224)
MFCD07773803
ZINC000005274740
ZINC000005274743

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Available files

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