Vitas-M small molecule compound
3-[(4-chlorobenzyl)sulfanyl]-6-(1-methyl-1H-pyrrol-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL482839
SMILES Clc1ccc(cc1)CSc1nnc2c(n1)OC(Nc1c2cccc1)c1cccn1C
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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 C22H18ClN5OS MW 435.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN5OS/c1-28-12-4-7-18(28)20-24-17-6-3-2-5-16(17)19-21(29-20)25-22(27-26-19)30-13-14-8-10-15(23)11-9-14/h2-12,20,24H,13H2,1H3InChIKey
LDTNQPPHUKXYCP-UHFFFAOYSA-NSynonyms
3((4chlorobenzyl)sulfanyl)6(1methyl1Hpyrrol2yl)67dihydro(124)triazino(56d)(31)benzoxazepine
3((4CHLOROBENZYL)THIO)6(1METHYL1HPYRROL2YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
3((4CHLOROPHENYL)METHYLSULFANYL)6(1METHYLPYRROL2YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CN1C=CC=C1C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=C(C=C5)Cl
InChI=1SC22H18ClN5OSc128124718(28)202417632516(17)1921(2920)2522(272619)30131481015(23)11914h2122024H13H21H3
MFCD02376935
ZINC000001409662
ZINC000001409663
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