Vitas-M small molecule compound
2-{4-[3-(3,4-dimethylphenoxy)propoxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK005674
SMILES COc1cc(ccc1OCCCOc1ccc(c(c1)C)C)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 C28H30N2O4S MW 490.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O4S/c1-17-9-11-20(15-18(17)2)33-13-6-14-34-22-12-10-19(16-23(22)32-3)26-29-27(31)25-21-7-4-5-8-24(21)35-28(25)30-26/h9-12,15-16H,4-8,13-14H2,1-3H3,(H,29,30,31)InChIKey
INHZLBXFFHAYMC-UHFFFAOYSA-NSynonyms
2(4(3(34dimethylphenoxy)propoxy)3methoxyphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4(3(34dimethylphenoxy)propoxy)3methoxyphenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=C(C=C(C=C1)OCCCOC2=C(C=C(C=C2)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3)OC)C
COc1cc(ccc1OCCCOc1ccc(c(c1)C)C)c1nc2sc3c(c2c(=O)(nH)1)CCCC3
InChI=1SC28H30N2O4Sc11791120(1518(17)2)33136143422121019(1623(22)323)262927(31)2521745824(21)3528(25)3026h9121516H481314H213H3(H293031)
MFCD03257428
STK005674
ZINC000008952142
ZINC08952142
ZINC8952142
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