Vitas-M small molecule compound
1-(4-bromophenyl)-2-{[2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}ethanone
Catalog ID
STK553998
SMILES CC(Cc1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3SCC(=O)c1ccc(cc1)Br)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 C26H26BrN3O2S2 MW 556.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26BrN3O2S2/c1-14(2)9-19-18-11-32-26(3,4)10-17(18)21-22-23(34-24(21)30-19)25(29-13-28-22)33-12-20(31)15-5-7-16(27)8-6-15/h5-8,13-14H,9-12H2,1-4H3InChIKey
HFNBUOPJIYXHQR-UHFFFAOYSA-NSynonyms
1(4bromophenyl)2((22dimethyl5(2methylpropyl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)sulfanyl)ethanone
1(4bromophenyl)2((5isobutyl22dimethyl24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)thio)ethanone
CC(C)CC1=C2COC(CC2=C3C4=C(C(=NC=N4)SCC(=O)C5=CC=C(C=C5)Br)SC3=N1)(C)C
InChI=1SC26H26BrN3O2S2c114(2)91918113226(34)1017(18)212223(3424(21)3019)25(29132822)331220(31)155716(27)8615h581314H912H214H3
MFCD02237643
ZINC000001899747
ZINC01899747
ZINC1899747
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