Vitas-M small molecule compound
6-(5-bromothiophen-2-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169848
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(s1)Br
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H19BrN4OS2 MW 463.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19BrN4OS2/c1-2-3-6-11-26-19-22-18-16(23-24-19)12-7-4-5-8-13(12)21-17(25-18)14-9-10-15(20)27-14/h4-5,7-10,17,21H,2-3,6,11H2,1H3InChIKey
BEISROPSWQYONX-UHFFFAOYSA-NSynonyms
6(5bromothiophen2yl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5BROMOTHIOPHEN2YL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(S4)Br)N=N1
InChI=1SC19H19BrN4OS2c1236112619221816(232419)12745813(12)2117(2518)1491015(20)2714h457101721H23611H21H3
MFCD01648109
ZINC000002745357
ZINC000002745358
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