Vitas-M small molecule compound
2-{[3-(3-methoxybenzyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylbenzyl)acetamide
Catalog ID
STL084965
SMILES COc1cccc(c1)Cn1c(SCC(=O)NCc2ccc(cc2)C)nc2c(c1=O)oc1c2cccc1
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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 C28H25N3O4S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O4S/c1-18-10-12-19(13-11-18)15-29-24(32)17-36-28-30-25-22-8-3-4-9-23(22)35-26(25)27(33)31(28)16-20-6-5-7-21(14-20)34-2/h3-14H,15-17H2,1-2H3,(H,29,32)InChIKey
WRIJPRYMQJTXEC-UHFFFAOYSA-NSynonyms
900002-22-42((3((3methoxyphenyl)methyl)4oxo(1)benzofuro(32d)pyrimidin2yl)sulfanyl)N((4methylphenyl)methyl)acetamide
2((3(3methoxybenzyl)4oxo34dihydro(1)benzofuro(32d)pyrimidin2yl)sulfanyl)N(4methylbenzyl)acetamide
2((3(3METHOXYBENZYL)4OXO34DIHYDROBENZOFURO(32D)PYRIMIDIN2YL)THIO)N(4METHYLBENZYL)ACETAMIDE
900002224
CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2CC4=CC(=CC=C4)OC)OC5=CC=CC=C53
InChI=1SC28H25N3O4Sc118101219(131118)152924(32)173628302522834923(22)3526(25)27(33)31(28)162065721(1420)342h314H1517H212H3(H2932)
MFCD07650658
ZINC000009749814
ZINC09749814
ZINC9749814
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