Vitas-M small molecule compound
2-{3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK002664
SMILES COc1cc(cc(c1OCCOc1ccc(c(c1)C)C)Cl)c1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C27H27ClN2O4S MW 511.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O4S/c1-15-8-9-18(12-16(15)2)33-10-11-34-24-20(28)13-17(14-21(24)32-3)25-29-26(31)23-19-6-4-5-7-22(19)35-27(23)30-25/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,29,30,31)InChIKey
LLQOIZKPQSJVKF-UHFFFAOYSA-NSynonyms
2(3chloro4(2(34dimethylphenoxy)ethoxy)5methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3chloro4(2(34dimethylphenoxy)ethoxy)5methoxyphenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=C(C=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC)C
COc1cc(cc(c1OCCOc1ccc(c(c1)C)C)Cl)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC27H27ClN2O4Sc1158918(1216(15)2)331011342420(28)1317(1421(24)323)252926(31)2319645722(19)3527(23)3025h891214H471011H213H3(H293031)
MFCD03184206
STK002664
ZINC000008916185
ZINC08916185
ZINC8916185
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