Vitas-M small molecule compound
1-{6-[2-(benzyloxy)-3-methoxyphenyl]-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK980060
SMILES CCCCSc1nnc2c(n1)OC(c1cccc(c1OCc1ccccc1)OC)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 C30H30N4O4S MW 542.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O4S/c1-4-5-18-39-30-31-28-26(32-33-30)22-14-9-10-16-24(22)34(20(2)35)29(38-28)23-15-11-17-25(36-3)27(23)37-19-21-12-7-6-8-13-21/h6-17,29H,4-5,18-19H2,1-3H3InChIKey
PINRHQGQGAUKEH-UHFFFAOYSA-NSynonyms
1(3BUTYLSULFANYL6(3METHOXY2PHENYLMETHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
1(6(2(benzyloxy)3methoxyphenyl)3(butylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
7ACETYL6(2(BENZYLOXY)3METHOXYPHENYL)3(BUTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C(=CC=C4)OC)OCC5=CC=CC=C5)C(=O)C)N=N1
InChI=1SC30H30N4O4Sc145183930312826(323330)22149101624(22)34(20(2)35)29(3828)2315111725(363)27(23)371921127681321h61729H451819H213H3
MFCD02376813
ZINC000002094695
ZINC000002094697
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