Vitas-M small molecule compound
4-[1-(5-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2H-1,4-benzoxazin-3(4H)-one
Catalog ID
STL365524
SMILES O=C(N1CCc2c1cccc2)CSc1nnc(n1C)C(N1C(=O)COc2c1cccc2)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 C23H23N5O3S MW 449.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O3S/c1-15(28-18-9-5-6-10-19(18)31-13-20(28)29)22-24-25-23(26(22)2)32-14-21(30)27-12-11-16-7-3-4-8-17(16)27/h3-10,15H,11-14H2,1-2H3InChIKey
MWVVZNAJONNUJO-UHFFFAOYSA-NSynonyms
4(1(5((2(23dihydro1Hindol1yl)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)ethyl)2H14benzoxazin3(4H)one
4(1(5(2(23dihydroindol1yl)2oxoethyl)sulfanyl4methyl124triazol3yl)ethyl)14benzoxazin3one
CC(C1=NN=C(N1C)SCC(=O)N2CCC3=CC=CC=C32)N4C(=O)COC5=CC=CC=C54
InChI=1SC23H23N5O3Sc115(28189561019(18)311320(28)29)22242523(26(22)2)321421(30)27121116734817(16)27h31015H1114H212H3
MFCD09476337
ZINC000015019110
ZINC000015019111
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