Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-[(E)-2-phenylethenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521633
SMILES CCSc1nnc2c(n1)OC(/C=C/c1ccccc1)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 C22H20N4O2S MW 404.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O2S/c1-3-29-22-23-21-20(24-25-22)17-11-7-8-12-18(17)26(15(2)27)19(28-21)14-13-16-9-5-4-6-10-16/h4-14,19H,3H2,1-2H3/b14-13+InChIKey
UPUXBCNNYNSWLA-BUHFOSPRSA-NSynonyms
1(3(ethylsulfanyl)6((E)2phenylethenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6((E)2PHENYLETHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C=CC4=CC=CC=C4)C(=O)C)N=N1
CCSc1nnc2c(n1)OC(C=Cc1ccccc1)N(c1c2cccc1)C(=O)C
InChI=1SC22H20N4O2Sc132922232120(242522)1711781218(17)26(15(2)27)19(2821)14131695461016h41419H3H212H3b1413+
MFCD02378037
ZINC000001159323
ZINC000001159325
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