Vitas-M small molecule compound
2-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
Catalog ID
STL084969
SMILES O=C(Nc1ccc(cc1)C)CSc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)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 C27H21N3O5S MW 499.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O5S/c1-16-6-9-18(10-7-16)28-23(31)14-36-27-29-24-19-4-2-3-5-20(19)35-25(24)26(32)30(27)13-17-8-11-21-22(12-17)34-15-33-21/h2-12H,13-15H2,1H3,(H,28,31)InChIKey
UPLOTZRAWAOABW-UHFFFAOYSA-NSynonyms
899941-56-12((3(13benzodioxol5ylmethyl)4oxo(1)benzofuro(32d)pyrimidin2yl)sulfanyl)N(4methylphenyl)acetamide
2((3(13benzodioxol5ylmethyl)4oxo34dihydro(1)benzofuro(32d)pyrimidin2yl)sulfanyl)N(4methylphenyl)acetamide
2((3(BENZO(D)(13)DIOXOL5YLMETHYL)4OXO34DIHYDROBENZOFURO(32D)PYRIMIDIN2YL)THIO)N(PTOLYL)ACETAMIDE
899941561
CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)OC6=CC=CC=C63
InChI=1SC27H21N3O5Sc1166918(10716)2823(31)143627292419423520(19)3525(24)26(32)30(27)13178112122(1217)34153321h212H1315H21H3(H2831)
MFCD07650662
ZINC000009749874
ZINC09749874
ZINC9749874
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