Vitas-M small molecule compound
N-(3-ethylphenyl)-2-{[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL085051
SMILES CCc1cccc(c1)NC(=O)CSc1nc2c3ccccc3oc2c(=O)n1CC1CCCO1
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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 C25H25N3O4S MW 463.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4S/c1-2-16-7-5-8-17(13-16)26-21(29)15-33-25-27-22-19-10-3-4-11-20(19)32-23(22)24(30)28(25)14-18-9-6-12-31-18/h3-5,7-8,10-11,13,18H,2,6,9,12,14-15H2,1H3,(H,26,29)InChIKey
VLTNFNCJXIRURT-UHFFFAOYSA-NSynonyms
899754-99-5899754995
CCC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4CCCO4)OC5=CC=CC=C53
InChI=1SC25H25N3O4Sc121675817(1316)2621(29)15332527221910341120(19)3223(22)24(30)28(25)141896123118h357810111318H269121415H21H3(H2629)
MFCD07650730
N(3ETHYLPHENYL)2((4OXO3((TETRAHYDROFURAN2YL)METHYL)34DIHYDROBENZOFURO(32D)PYRIMIDIN2YL)THIO)ACETAMIDE
N(3ethylphenyl)2((4oxo3(oxolan2ylmethyl)(1)benzofuro(32d)pyrimidin2yl)sulfanyl)acetamide
N(3ethylphenyl)2((4oxo3(tetrahydrofuran2ylmethyl)34dihydro(1)benzofuro(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000009750784
ZINC000009750790
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