Vitas-M small molecule compound
2-{2-[2-(2-methylphenoxy)ethoxy]-5-nitrophenyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK002234
SMILES [O-][N+](=O)c1ccc(c(c1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3)OCCOc1ccccc1C
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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 C25H23N3O5S MW 477.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5S/c1-15-6-2-4-8-19(15)32-12-13-33-20-11-10-16(28(30)31)14-18(20)23-26-24(29)22-17-7-3-5-9-21(17)34-25(22)27-23/h2,4,6,8,10-11,14H,3,5,7,9,12-13H2,1H3,(H,26,27,29)InChIKey
PZXUCNAUNGSTEE-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(c(c1)c1nc2sc3c(c2c(=O)(nH)1)CCCC3)OCCOc1ccccc1C
2(2(2(2methylphenoxy)ethoxy)5nitrophenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(2(2(2methylphenoxy)ethoxy)5nitrophenyl)5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1=CC=CC=C1OCCOC2=C(C=C(C=C2)(N+)(=O)(O))C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3
InChI=1SC25H23N3O5Sc115624819(15)3212133320111016(28(30)31)1418(20)232624(29)2217735921(17)3425(22)2723h2468101114H35791213H21H3(H262729)
MFCD08049052
STK002234
ZINC000008916116
ZINC08916116
ZINC8916116
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