Vitas-M small molecule compound
4-[1-(5-{[2-(5-bromo-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
STL365531
SMILES Brc1ccc2c(c1)CCN2C(=O)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 C23H22BrN5O3S MW 528.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrN5O3S/c1-14(29-18-5-3-4-6-19(18)32-12-20(29)30)22-25-26-23(27(22)2)33-13-21(31)28-10-9-15-11-16(24)7-8-17(15)28/h3-8,11,14H,9-10,12-13H2,1-2H3InChIKey
RPPNRVMEQLEZSQ-UHFFFAOYSA-NSynonyms
4(1(5((2(5bromo23dihydro1Hindol1yl)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)ethyl)2H14benzoxazin3(4H)one
4(1(5(2(5bromo23dihydroindol1yl)2oxoethyl)sulfanyl4methyl124triazol3yl)ethyl)14benzoxazin3one
CC(C1=NN=C(N1C)SCC(=O)N2CCC3=C2C=CC(=C3)Br)N4C(=O)COC5=CC=CC=C54
InChI=1SC23H22BrN5O3Sc114(2918534619(18)321220(29)30)22252623(27(22)2)331321(31)28109151116(24)7817(15)28h381114H9101213H212H3
MFCD09476344
ZINC000101068847
ZINC000101068853
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