Vitas-M small molecule compound
2-{3-bromo-5-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK099210
SMILES COc1cc(cc(c1OCc1cccc(c1)C)Br)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 C25H23BrN2O3S MW 511.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN2O3S/c1-14-6-5-7-15(10-14)13-31-22-18(26)11-16(12-19(22)30-2)23-27-24(29)21-17-8-3-4-9-20(17)32-25(21)28-23/h5-7,10-12H,3-4,8-9,13H2,1-2H3,(H,27,28,29)InChIKey
UUZLDEFKLGEQIE-UHFFFAOYSA-NSynonyms
2(3bromo5methoxy4((3methylbenzyl)oxy)phenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3bromo5methoxy4((3methylphenyl)methoxy)phenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=CC(=CC=C1)COC2=C(C=C(C=C2Br)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC
COc1cc(cc(c1OCc1cccc(c1)C)Br)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC25H23BrN2O3Sc11465715(1014)13312218(26)1116(1219(22)302)232724(29)2117834920(17)3225(21)2823h571012H348913H212H3(H272829)
MFCD03257811
STK099210
ZINC000013896105
ZINC13896105
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