Vitas-M small molecule compound
8-[4-(diphenylmethyl)piperazin-1-yl]-2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Catalog ID
STL049942
SMILES CSc1nc(N2CCN(CC2)C(c2ccccc2)c2ccccc2)c2c(n1)c1c(s2)nc(c2c1CC(C)(C)OC2)N1CCOCC1
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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 C36H40N6O2S2 MW 652.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H40N6O2S2/c1-36(2)22-26-27(23-44-36)32(42-18-20-43-21-19-42)38-34-28(26)29-31(46-34)33(39-35(37-29)45-3)41-16-14-40(15-17-41)30(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-13,30H,14-23H2,1-3H3InChIKey
OXNCRKNDFKVRIA-UHFFFAOYSA-NSynonyms
8(4(diphenylmethyl)piperazin1yl)22dimethyl10(methylsulfanyl)5(morpholin4yl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidine
8(4benzhydrylpiperazin1yl)22dimethyl10(methylthio)5morpholino24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidine
CC1(CC2=C3C4=C(C(=NC(=N4)SC)N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=CC=C7)SC3=NC(=C2CO1)N8CCOCC8)C
InChI=1SC36H40N6O2S2c136(2)222627(234436)32(42182043211942)383428(26)2931(4634)33(3935(3729)453)41161440(151741)30(24106471124)25128591325h41330H1423H213H3
MFCD05729309
ZINC000150457933
ZINC150457933
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