Vitas-M small molecule compound
2-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK008072
SMILES COc1cc(ccc1OCc1ccc(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 C26H26N2O3S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O3S/c1-15-4-7-17(8-5-15)14-31-20-11-9-18(13-21(20)30-3)24-27-25(29)23-19-10-6-16(2)12-22(19)32-26(23)28-24/h4-5,7-9,11,13,16H,6,10,12,14H2,1-3H3,(H,27,28,29)InChIKey
VKPXDEURLYMLPJ-UHFFFAOYSA-NSynonyms
2(3methoxy4((4methylbenzyl)oxy)phenyl)7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(3methoxy4((4methylphenyl)methoxy)phenyl)7methyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)C)OC
COc1cc(ccc1OCc1ccc(cc1)C)c1nc2sc3c(c2c(=O)(nH)1)CCC(C3)C
InChI=1SC26H26N2O3Sc1154717(8515)14312011918(1321(20)303)242725(29)231910616(2)1222(19)3226(23)2824h4579111316H6101214H213H3(H272829)
MFCD05977345
STK008072
ZINC000008952525
ZINC000012285378
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