Vitas-M small molecule compound

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

Catalog ID
STK213645
SMILES COc1cc(cc(c1OC)OC)C(=O)Oc1ccccc1C1N=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 C30H34N2O6S MW 550.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O6S/c1-30(2,3)17-11-12-19-23(15-17)39-28-24(19)27(33)31-26(32-28)18-9-7-8-10-20(18)38-29(34)16-13-21(35-4)25(37-6)22(14-16)36-5/h7-10,13-14,17,26,32H,11-12,15H2,1-6H3,(H,31,33)
InChIKey
ZTNGNAKLFYXBDH-UHFFFAOYSA-N
Synonyms

(2(7tertbutyl4oxo235678hexahydro1H(1)benzothiolo(23d)pyrimidin2yl)phenyl)345trimethoxybenzoate
2(7tertbutyl4hydroxy125678hexahydro(1)benzothieno(23d)pyrimidin2yl)phenyl345trimethoxybenzoate
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=CC=C4OC(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI=1SC30H34N2O6Sc130(23)1711121923(1517)392824(19)27(33)3126(3228)189781020(18)3829(34)161321(354)25(376)22(1416)365h7101314172632H111215H216H3(H3133)
MFCD07436900
ZINC000098043439
ZINC000098043442

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Available files

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