Vitas-M small molecule compound
2-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(4-methoxyphenyl)propanamide
Catalog ID
STK554847
SMILES COc1ccc(cc1)NC(=O)C(Sc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCOCC1)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 C28H31N5O4S2 MW 565.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O4S2/c1-16(25(34)31-17-5-7-18(35-4)8-6-17)38-27-23-22(29-15-30-27)21-19-13-28(2,3)37-14-20(19)24(32-26(21)39-23)33-9-11-36-12-10-33/h5-8,15-16H,9-14H2,1-4H3,(H,31,34)InChIKey
BGLBNXAPYXCDHS-UHFFFAOYSA-NSynonyms
2((22dimethyl5(morpholin4yl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)sulfanyl)N(4methoxyphenyl)propanamide
2((22dimethyl5morpholino24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)thio)N(4methoxyphenyl)propanamide
CC(C(=O)NC1=CC=C(C=C1)OC)SC2=NC=NC3=C2SC4=NC(=C5COC(CC5=C34)(C)C)N6CCOCC6
InChI=1SC28H31N5O4S2c116(25(34)31175718(354)8617)38272322(29153027)21191328(23)371420(19)24(3226(21)3923)3391136121033h581516H914H214H3(H3134)
MFCD04007000
ZINC000053338839
ZINC000053338842
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