Vitas-M small molecule compound
N,N-dibutyl-2-{[3-(3-methylphenyl)-4-oxo-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK943007
SMILES CCCCN(C(=O)CSc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)C(C)C)CCCC
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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 C29H39N3O3S2 MW 541.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3O3S2/c1-6-8-13-31(14-9-7-2)25(33)18-36-29-30-27-26(22-16-23(19(3)4)35-17-24(22)37-27)28(34)32(29)21-12-10-11-20(5)15-21/h10-12,15,19,23H,6-9,13-14,16-18H2,1-5H3InChIKey
SJXFTJAYVNOLAB-UHFFFAOYSA-NSynonyms
498537-60-3498537603
CCCCN(CCCC)C(=O)CSC1=NC2=C(C3=C(S2)COC(C3)C(C)C)C(=O)N1C4=CC=CC(=C4)C
InChI=1SC29H39N3O3S2c1681331(14972)25(33)183629302726(221623(19(3)4)351724(22)3727)28(34)32(29)2112101120(5)1521h1012151923H6913141618H215H3
MFCD03301819
NNdibutyl2((3(3methylphenyl)4oxo6(propan2yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)acetamide
NNdibutyl2((3(3methylphenyl)4oxo6propan2yl68dihydro5Hpyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)acetamide
NNdibutyl2((6isopropyl4oxo3(mtolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)acetamide
ZINC000002348969
ZINC000002348971
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