Vitas-M small molecule compound
3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK698856
SMILES Clc1ccc(cc1)C(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC(C3)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 C29H29ClN2O2S2 MW 537.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN2O2S2/c1-29(2,3)20-11-14-22-24(15-20)36-26-25(22)27(34)32(16-18-7-5-4-6-8-18)28(31-26)35-17-23(33)19-9-12-21(30)13-10-19/h4-10,12-13,20H,11,14-17H2,1-3H3InChIKey
WYRBBOPWSABRIZ-UHFFFAOYSA-NSynonyms
313702-58-8313702588
3benzyl7(tertbutyl)2((2(4chlorophenyl)2oxoethyl)thio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3benzyl7tertbutyl2((2(4chlorophenyl)2oxoethyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3benzyl7tertbutyl2(2(4chlorophenyl)2oxoethyl)sulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5
InChI=1SC29H29ClN2O2S2c129(23)2011142224(1520)362625(22)27(34)32(16187546818)28(3126)351723(33)1991221(30)131019h410121320H111417H213H3
MFCD01875374
ZINC000001804717
ZINC000001804719
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