Vitas-M small molecule compound
3-[(4-methylbenzyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK509555
SMILES Cc1ccc(cc1)CSc1nnc2c(n1)OC=Nc1c2cccc1
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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 C18H14N4OS MW 334.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4OS/c1-12-6-8-13(9-7-12)10-24-18-20-17-16(21-22-18)14-4-2-3-5-15(14)19-11-23-17/h2-9,11H,10H2,1H3InChIKey
KKMPOSIMXFCNPH-UHFFFAOYSA-NSynonyms
3((4methylbenzyl)sulfanyl)(124)triazino(56d)(31)benzoxazepine
3((4METHYLPHENYL)METHYLSULFANYL)(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4N=CO3)N=N2
InChI=1SC18H14N4OSc1126813(9712)102418201716(212218)14423515(14)19112317h2911H10H21H3
MFCD13369948
ZINC000003656386
ZINC03656386
ZINC3656386
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