Vitas-M small molecule compound
2-{5-chloro-2-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK027371
SMILES CCc1cc(OCCOc2ccc(cc2c2nc3sc4c(c3c(=O)[nH]2)CCCC4)Cl)cc(c1)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 C27H27ClN2O3S MW 495.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O3S/c1-3-17-12-16(2)13-19(14-17)32-10-11-33-22-9-8-18(28)15-21(22)25-29-26(31)24-20-6-4-5-7-23(20)34-27(24)30-25/h8-9,12-15H,3-7,10-11H2,1-2H3,(H,29,30,31)InChIKey
CIXXSGJBRSXNQN-UHFFFAOYSA-NSynonyms
2(5chloro2(2(3ethyl5methylphenoxy)ethoxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(5chloro2(2(3ethyl5methylphenoxy)ethoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CCC1=CC(=CC(=C1)C)OCCOC2=C(C=C(C=C2)Cl)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3
CCc1cc(OCCOc2ccc(cc2c2nc3sc4c(c3c(=O)(nH)2)CCCC4)Cl)cc(c1)C
InChI=1SC27H27ClN2O3Sc13171216(2)1319(1417)32101133229818(28)1521(22)252926(31)2420645723(20)3427(24)3025h891215H371011H212H3(H293031)
MFCD02955404
STK027371
ZINC000009136290
ZINC09136290
ZINC9136290
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