Vitas-M small molecule compound
3'-(benzylsulfanyl)-5-bromo-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Catalog ID
STK326642
SMILES Brc1ccc2c(c1)C1(Oc3nc(SCc4ccccc4)nnc3c3c(N1)cccc3)C(=O)N2
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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 C24H16BrN5O2S MW 518.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16BrN5O2S/c25-15-10-11-19-17(12-15)24(22(31)26-19)28-18-9-5-4-8-16(18)20-21(32-24)27-23(30-29-20)33-13-14-6-2-1-3-7-14/h1-12,28H,13H2,(H,26,31)InChIKey
CPQNTNWKLIMDKN-UHFFFAOYSA-NSynonyms
3(benzylsulfanyl)5bromo7Hspiro(indole36(124)triazino(56d)(31)benzoxazepin)2(1H)one
3BENZYLSULFANYL5BROMOSPIRO(1HINDOLE367H(124)TRIAZINO(56D)(31)BENZOXAZEPINE)2ONE
C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC5(O3)C6=C(C=CC(=C6)Br)NC5=O)N=N2
InChI=1SC24H16BrN5O2Sc251510111917(1215)24(22(31)2619)2818954816(18)2021(3224)2723(302920)3313146213714h11228H13H2(H2631)
MFCD01929785
ZINC000002073741
ZINC000002073742
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