Vitas-M small molecule compound
[6-(3-iodo-4,5-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
Catalog ID
STK521676
SMILES CSc1nnc2c(n1)OC(c1cc(I)c(c(c1)OC)OC)N(c1c2cccc1)C(=O)c1ccccc1
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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 C26H21IN4O4S MW 612.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21IN4O4S/c1-33-20-14-16(13-18(27)22(20)34-2)25-31(24(32)15-9-5-4-6-10-15)19-12-8-7-11-17(19)21-23(35-25)28-26(36-3)30-29-21/h4-14,25H,1-3H3InChIKey
BBGBTUCEBJYLMU-UHFFFAOYSA-NSynonyms
(6(3iodo45dimethoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)(phenyl)methanone
(6(3IODO45DIMETHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PHENYLMETHANONE
7BENZOYL6(3IODO45DIMETHOXYPHENYL)3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
COC1=C(C(=CC(=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C5=CC=CC=C5)I)OC
InChI=1SC26H21IN4O4Sc133201416(1318(27)22(20)342)2531(24(32)1595461015)1912871117(19)2123(3525)2826(363)302921h41425H13H3
MFCD03080528
ZINC000008397411
ZINC000008397415
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