Vitas-M small molecule compound
methyl [(2,2-dimethyl-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)sulfanyl]acetate
Catalog ID
STL227045
SMILES COC(=O)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1
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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 C23H21N3O3S2 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O3S2/c1-23(2)9-14-15(10-29-23)18(13-7-5-4-6-8-13)26-21-17(14)19-20(31-21)22(25-12-24-19)30-11-16(27)28-3/h4-8,12H,9-11H2,1-3H3InChIKey
QMDWJFHFFVWATA-UHFFFAOYSA-NSynonyms
845648-52-4845648524
CC1(CC2=C3C4=C(C(=NC=N4)SCC(=O)OC)SC3=NC(=C2CO1)C5=CC=CC=C5)C
InChI=1SC23H21N3O3S2c123(2)91415(102923)18(137546813)262117(14)1920(3121)22(25122419)301116(27)283h4812H911H213H3
methyl((22dimethyl5phenyl14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)sulfanyl)acetate
methyl2((22dimethyl5phenyl24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)thio)acetate
MFCD04167440
ZINC000002414657
ZINC02414657
ZINC2414657
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