Vitas-M small molecule compound
7-tert-butyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK993129
SMILES COc1ccc(cc1)n1c(SCc2ccc(c(c2)Cl)Cl)nc2c(c1=O)c1CCC(Cc1s2)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 C28H28Cl2N2O2S2 MW 559.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28Cl2N2O2S2/c1-28(2,3)17-6-11-20-23(14-17)36-25-24(20)26(33)32(18-7-9-19(34-4)10-8-18)27(31-25)35-15-16-5-12-21(29)22(30)13-16/h5,7-10,12-13,17H,6,11,14-15H2,1-4H3InChIKey
DIEAKIPQJHPOBN-UHFFFAOYSA-NSynonyms
7tertbutyl2((34dichlorobenzyl)sulfanyl)3(4methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
7tertbutyl2((34dichlorophenyl)methylsulfanyl)3(4methoxyphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)OC
InChI=1SC28H28Cl2N2O2S2c128(23)176112023(1417)362524(20)26(33)32(187919(344)10818)27(3125)35151651221(29)22(30)1316h5710121317H6111415H214H3
MFCD02631119
ZINC000008432081
ZINC000008432082
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