Vitas-M small molecule compound
6-[3-bromo-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169910
SMILES C=CCOc1c(Br)cc(cc1OCC)C1Nc2ccccc2c2c(O1)nc(SCC)nn2
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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 C23H23BrN4O3S MW 515.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN4O3S/c1-4-11-30-20-16(24)12-14(13-18(20)29-5-2)21-25-17-10-8-7-9-15(17)19-22(31-21)26-23(28-27-19)32-6-3/h4,7-10,12-13,21,25H,1,5-6,11H2,2-3H3InChIKey
HKLBIVLQOOIFGG-UHFFFAOYSA-NSynonyms
6(3bromo5ethoxy4(prop2en1yloxy)phenyl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(3BROMO5ETHOXY4PROP2ENOXYPHENYL)3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(4(ALLYLOXY)3BROMO5ETHOXYPHENYL)3(ETHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCOC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC)Br)OCC=C
InChI=1SC23H23BrN4O3Sc1411302016(24)1214(1318(20)2952)2125171087915(17)1922(3121)2623(282719)3263h471012132125H15611H223H3
MFCD01835630
ZINC000002096013
ZINC000002096015
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