Vitas-M small molecule compound
methyl 2-{[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-3-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STL178858
SMILES COC(=O)c1c(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)sc2c1CCCCC2
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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 C25H27N3O4S MW 465.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4S/c1-32-25(31)21-17-8-4-2-5-9-19(17)33-23(21)27-22(29)15-11-12-16-18(14-15)26-20-10-6-3-7-13-28(20)24(16)30/h11-12,14H,2-10,13H2,1H3,(H,27,29)InChIKey
DAUSBWRTCKERGQ-UHFFFAOYSA-NSynonyms
938017-15-3938017153
COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4
InChI=1SC25H27N3O4Sc13225(31)21178425919(17)3323(21)2722(29)1511121618(1415)2620106371328(20)24(16)30h111214H21013H21H3(H2729)
methyl2(((12oxo67891012hexahydroazepino(21b)quinazolin3yl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((12oxo78910tetrahydro6Hazepino(21b)quinazoline3carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD08555419
ZINC000036614053
ZINC36614053
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