Vitas-M small molecule compound
4-[(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2H-1,4-benzoxazin-3(4H)-one
Catalog ID
STL364988
SMILES O=C(N1CCc2c1cccc2)CSc1nnc(n1C)CN1C(=O)COc2c1cccc2
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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 C22H21N5O3S MW 435.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3S/c1-25-19(12-27-17-8-4-5-9-18(17)30-13-20(27)28)23-24-22(25)31-14-21(29)26-11-10-15-6-2-3-7-16(15)26/h2-9H,10-14H2,1H3InChIKey
JMEWLCMSURRBHH-UHFFFAOYSA-NSynonyms
4((5((2(23dihydro1Hindol1yl)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)methyl)2H14benzoxazin3(4H)one
4((5(2(23dihydroindol1yl)2oxoethyl)sulfanyl4methyl124triazol3yl)methyl)14benzoxazin3one
CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C32)CN4C(=O)COC5=CC=CC=C54
InChI=1SC22H21N5O3Sc12519(122717845918(17)301320(27)28)232422(25)311421(29)26111015623716(15)26h29H1014H21H3
MFCD09156512
ZINC000009295617
ZINC09295617
ZINC9295617
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