Vitas-M small molecule compound
2-(3,5-dichloro-4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK028659
SMILES COc1c(Cl)cc(cc1Cl)c1nc2sc3c(c2c(=O)[nH]1)CCC(C3)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 C18H16Cl2N2O2S MW 395.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16Cl2N2O2S/c1-8-3-4-10-13(5-8)25-18-14(10)17(23)21-16(22-18)9-6-11(19)15(24-2)12(20)7-9/h6-8H,3-5H2,1-2H3,(H,21,22,23)InChIKey
VGURUPMLXXLXTP-UHFFFAOYSA-NSynonyms
2(35dichloro4methoxyphenyl)7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(35dichloro4methoxyphenyl)7methyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC(=C(C(=C4)Cl)OC)Cl
COc1c(Cl)cc(cc1Cl)c1nc2sc3c(c2c(=O)(nH)1)CCC(C3)C
InChI=1SC18H16Cl2N2O2Sc18341013(58)251814(10)17(23)2116(2218)9611(19)15(242)12(20)79h68H35H212H3(H212223)
MFCD03255538
STK028659
ZINC000004566797
ZINC000004566800
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