Vitas-M small molecule compound
2-{3-chloro-4-[2-(2,5-dimethylphenoxy)ethoxy]-5-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK046924
SMILES COc1cc(cc(c1OCCOc1cc(C)ccc1C)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/c1-15-8-9-16(2)20(12-15)33-10-11-34-24-19(28)13-17(14-21(24)32-3)25-29-26(31)23-18-6-4-5-7-22(18)35-27(23)30-25/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,29,30,31)InChIKey
JZUMNVNVJZZIRH-UHFFFAOYSA-NSynonyms
2(3chloro4(2(25dimethylphenoxy)ethoxy)5methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3chloro4(2(25dimethylphenoxy)ethoxy)5methoxyphenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=CC(=C(C=C1)C)OCCOC2=C(C=C(C=C2Cl)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
COc1cc(cc(c1OCCOc1cc(C)ccc1C)Cl)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC27H27ClN2O4Sc1158916(2)20(1215)331011342419(28)1317(1421(24)323)252926(31)2318645722(18)3527(23)3025h891214H471011H213H3(H293031)
MFCD03257498
STK046924
ZINC000013943161
ZINC13943161
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