Vitas-M small molecule compound
1-{6-[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK980032
SMILES CCCCSc1nnc2c(n1)OC(c1cc(Br)c(c(c1)OCC)OCc1ccccc1)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 C31H31BrN4O4S MW 635.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31BrN4O4S/c1-4-6-16-41-31-33-29-27(34-35-31)23-14-10-11-15-25(23)36(20(3)37)30(40-29)22-17-24(32)28(26(18-22)38-5-2)39-19-21-12-8-7-9-13-21/h7-15,17-18,30H,4-6,16,19H2,1-3H3InChIKey
BAMNVJYESLMGFL-UHFFFAOYSA-NSynonyms
1(6(3BROMO5ETHOXY4PHENYLMETHOXYPHENYL)3BUTYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
1(6(4(benzyloxy)3bromo5ethoxyphenyl)3(butylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
7ACETYL6(4(BENZYLOXY)3BROMO5ETHOXYPHENYL)3(BUTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)OCC)C(=O)C)N=N1
InChI=1SC31H31BrN4O4Sc146164131332927(343531)231410111525(23)36(20(3)37)30(4029)221724(32)28(26(1822)3852)391921128791321h715171830H461619H213H3
MFCD02182585
ZINC000008452885
ZINC000008452887
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