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-(2-methylphenyl)acetamide
Catalog ID
STL084967
SMILES O=C(Nc1ccccc1C)CSc1nc2c3ccccc3oc2c(=O)n1Cc1ccc2c(c1)OCO2
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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/c1-16-6-2-4-8-19(16)28-23(31)14-36-27-29-24-18-7-3-5-9-20(18)35-25(24)26(32)30(27)13-17-10-11-21-22(12-17)34-15-33-21/h2-12H,13-15H2,1H3,(H,28,31)InChIKey
CTTCEWDLRBLWDR-UHFFFAOYSA-NSynonyms
899754-57-52((3(13benzodioxol5ylmethyl)4oxo(1)benzofuro(32d)pyrimidin2yl)sulfanyl)N(2methylphenyl)acetamide
2((3(13benzodioxol5ylmethyl)4oxo34dihydro(1)benzofuro(32d)pyrimidin2yl)sulfanyl)N(2methylphenyl)acetamide
2((3(BENZO(D)(13)DIOXOL5YLMETHYL)4OXO34DIHYDROBENZOFURO(32D)PYRIMIDIN2YL)THIO)N(OTOLYL)ACETAMIDE
899754575
CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)OC6=CC=CC=C63
InChI=1SC27H21N3O5Sc116624819(16)2823(31)143627292418735920(18)3525(24)26(32)30(27)131710112122(1217)34153321h212H1315H21H3(H2831)
MFCD07650660
ZINC000009749831
ZINC09749831
ZINC9749831
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