Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Catalog ID
STL178841
SMILES N#Cc1c(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)sc2c1CCCC2
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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 C23H22N4O2S MW 418.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O2S/c24-13-17-15-6-3-4-7-19(15)30-22(17)26-21(28)14-9-10-16-18(12-14)25-20-8-2-1-5-11-27(20)23(16)29/h9-10,12H,1-8,11H2,(H,26,28)InChIKey
IRNQQHGFXSFBEX-UHFFFAOYSA-NSynonyms
C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=C(C5=C(S4)CCCC5)C#N)C(=O)N2CC1
InChI=1SC23H22N4O2Sc24131715634719(15)3022(17)2621(28)149101618(1214)252082151127(20)23(16)29h91012H1811H2(H2628)
MFCD08555235
N(3cyano4567tetrahydro1benzothiophen2yl)12oxo67891012hexahydroazepino(21b)quinazoline3carboxamide
N(3cyano4567tetrahydro1benzothiophen2yl)12oxo78910tetrahydro6Hazepino(21b)quinazoline3carboxamide
ZINC000036613777
ZINC36613777
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