Vitas-M small molecule compound
N-{4-[(E)-{[2-butyl-9-(methoxymethyl)-7-methyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]imino}methyl]phenyl}acetamide
Catalog ID
STK784607
SMILES CCCCc1nc2c3c(COC)cc(nc3sc2c(=O)n1/N=C/c1ccc(cc1)NC(=O)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 C25H27N5O3S MW 477.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O3S/c1-5-6-7-20-29-22-21-18(14-33-4)12-15(2)27-24(21)34-23(22)25(32)30(20)26-13-17-8-10-19(11-9-17)28-16(3)31/h8-13H,5-7,14H2,1-4H3,(H,28,31)/b26-13+InChIKey
PEWOYNWPDDTBFI-LGJNPRDNSA-NSynonyms
CCCCC1=NC2=C(C(=O)N1N=CC3=CC=C(C=C3)NC(=O)C)SC4=C2C(=CC(=N4)C)COC
CCCCc1nc2c3c(COC)cc(nc3sc2c(=O)n1N=Cc1ccc(cc1)NC(=O)C)C
InChI=1SC25H27N5O3Sc15672029222118(14334)1215(2)2724(21)3423(22)25(32)30(20)26131781019(11917)2816(3)31h813H5714H214H3(H2831)b2613+
MFCD07022690
N(4((E)((2butyl9(methoxymethyl)7methyl4oxopyrido(3245)thieno(32d)pyrimidin3(4H)yl)imino)methyl)phenyl)acetamide
N(4((E)(2butyl9(methoxymethyl)7methyl4oxopyrido(12)thieno(34d)pyrimidin3yl)iminomethyl)phenyl)acetamide
ZINC000012410983
ZINC96438988
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