Vitas-M small molecule compound
3-(furan-2-ylmethyl)-6-methyl-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
Catalog ID
STL093316
SMILES Cc1ccc2c(c1)N(CCO2)C(=O)CSc1nc2cc([nH]c2c(=O)n1Cc1ccco1)C
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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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-14-5-6-19-18(10-14)26(7-9-31-19)20(28)13-32-23-25-17-11-15(2)24-21(17)22(29)27(23)12-16-4-3-8-30-16/h3-6,8,10-11,24H,7,9,12-13H2,1-2H3InChIKey
YGCRWHMTJKXALH-UHFFFAOYSA-NSynonyms
3(furan2ylmethyl)6methyl2((2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)sulfanyl)35dihydro4Hpyrrolo(32d)pyrimidin4one
3(furan2ylmethyl)6methyl2(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)sulfanyl5Hpyrrolo(32d)pyrimidin4one
CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NC4=C(C(=O)N3CC5=CC=CO5)NC(=C4)C
Cc1ccc2c(c1)N(CCO2)C(=O)CSc1nc2cc((nH)c2c(=O)n1Cc1ccco1)C
InChI=1SC23H22N4O4Sc114561918(1014)26(793119)20(28)13322325171115(2)2421(17)22(29)27(23)12164383016h368101124H791213H212H3
MFCD18787450
ZINC000067236444
ZINC67236444
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