Vitas-M small molecule compound
2-{3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK059888
SMILES COc1cc(ccc1OCCOc1ccc(cc1)C)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 C27H28N2O4S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4S/c1-16-4-8-19(9-5-16)32-12-13-33-21-11-7-18(15-22(21)31-3)25-28-26(30)24-20-10-6-17(2)14-23(20)34-27(24)29-25/h4-5,7-9,11,15,17H,6,10,12-14H2,1-3H3,(H,28,29,30)InChIKey
PLBBTPIYWODWTG-UHFFFAOYSA-NSynonyms
2(3methoxy4(2(4methylphenoxy)ethoxy)phenyl)7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3methoxy4(2(4methylphenoxy)ethoxy)phenyl)7methyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC(=C(C=C4)OCCOC5=CC=C(C=C5)C)OC
COc1cc(ccc1OCCOc1ccc(cc1)C)c1nc2sc3c(c2c(=O)(nH)1)CCC(C3)C
InChI=1SC27H28N2O4Sc1164819(9516)321213332111718(1522(21)313)252826(30)242010617(2)1423(20)3427(24)2925h4579111517H6101214H213H3(H282930)
MFCD05977332
STK059888
ZINC000009553452
ZINC000013896607
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