Vitas-M small molecule compound
1-[6-(5-bromothiophen-2-yl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980031
SMILES CCCCSc1nnc2c(n1)OC(c1ccc(s1)Br)N(c1c2cccc1)C(=O)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 C20H19BrN4O2S2 MW 491.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN4O2S2/c1-3-4-11-28-20-22-18-17(23-24-20)13-7-5-6-8-14(13)25(12(2)26)19(27-18)15-9-10-16(21)29-15/h5-10,19H,3-4,11H2,1-2H3InChIKey
QTRDKWXQSGZFCA-UHFFFAOYSA-NSynonyms
1(6(5bromothiophen2yl)3(butylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5BROMOTHIOPHEN2YL)3BUTYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(5BROMO2THIENYL)3(BUTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(S4)Br)C(=O)C)N=N1
InChI=1SC20H19BrN4O2S2c134112820221817(232420)13756814(13)25(12(2)26)19(2718)1591016(21)2915h51019H3411H212H3
MFCD02182610
ZINC000002113820
ZINC000002113822
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