Vitas-M small molecule compound
N~9~-benzyl-7,7-dimethyl-N~4~-(propan-2-yl)-7,8-dihydro-6H-pyrimido[4,5-b][1,4]benzothiazine-4,9-diamine
Catalog ID
STL326564
SMILES CC(Nc1ncnc2c1N=C1CC(C)(C)CC(=C1S2)NCc1ccccc1)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 C22H27N5S MW 393.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5S/c1-14(2)26-20-18-21(25-13-24-20)28-19-16(10-22(3,4)11-17(19)27-18)23-12-15-8-6-5-7-9-15/h5-9,13-14,23H,10-12H2,1-4H3,(H,24,25,26)InChIKey
DMEPSCVIBPFQIJ-UHFFFAOYSA-NSynonyms
9NBENZYL77DIMETHYL4NPROPAN2YL68DIHYDROPYRIMIDO(45B)(14)BENZOTHIAZINE49DIAMINE
CC(C)NC1=C2C(=NC=N1)SC3=C(CC(CC3=N2)(C)C)NCC4=CC=CC=C4
CC(Nc1ncnc2c1N=C1CC(C)(C)CC(=C1S2)NCc1ccccc1)CBr
InChI=1SC22H27N5Sc114(2)26201821(25132420)281916(1022(34)1117(19)2718)2312158657915h59131423H1012H214H3(H242526)
MFCD01878796
N~9~benzyl77dimethylN~4~(propan2yl)78dihydro6Hpyrimido(45b)(14)benzothiazine49diamine
N9BENZYL77DIMETHYLN4(1METHYLETHYL)78DIHYDRO6HPYRIMIDO(45B)(14)BENZOTHIAZINE49DIAMINE
N9BENZYL77DIMETHYLN4(PROPAN2YL)78DIHYDRO6HPYRIMIDO(45B)(14)BENZOTHIAZINE49DIAMINE
N9benzylN4isopropyl77dimethyl78dihydro6Hbenzo(b)pyrimido(54e)(14)thiazine49diaminehydrobromide
ZINC000004843926
ZINC4843926
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