Vitas-M small molecule compound
ethyl 4-[2,2-dimethyl-10-(methylsulfanyl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]piperazine-1-carboxylate
Catalog ID
STL304377
SMILES CCOC(=O)N1CCN(CC1)c1nc(SC)nc2c1sc1c2c2CC(C)(C)OCc2c(n1)C(C)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 C25H33N5O3S2 MW 515.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N5O3S2/c1-7-32-24(31)30-10-8-29(9-11-30)21-20-19(27-23(28-21)34-6)17-15-12-25(4,5)33-13-16(15)18(14(2)3)26-22(17)35-20/h14H,7-13H2,1-6H3InChIKey
KWSZKUSGAIOGNP-UHFFFAOYSA-NSynonyms
844831-06-7844831067
CCOC(=O)N1CCN(CC1)C2=NC(=NC3=C2SC4=NC(=C5COC(CC5=C34)(C)C)C(C)C)SC
ethyl4(22dimethyl10(methylsulfanyl)5(propan2yl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)piperazine1carboxylate
ethyl4(5isopropyl22dimethyl10(methylthio)24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)piperazine1carboxylate
InChI=1SC25H33N5O3S2c173224(31)3010829(91130)212019(2723(2821)346)17151225(45)331316(15)18(14(2)3)2622(17)3520h14H713H216H3
MFCD04161889
ZINC000009193220
ZINC09193220
ZINC9193220
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