Vitas-M small molecule compound
methyl 2-[2-amino-3-cyano-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK757813
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CCC2)c1sc2c(c1C(=O)OC)CCCCC2
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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 C27H26N4O5S MW 518.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O5S/c1-36-27(33)23-17-6-3-2-4-9-21(17)37-26(23)30-19-7-5-8-20(32)24(19)22(18(14-28)25(30)29)15-10-12-16(13-11-15)31(34)35/h10-13,22H,2-9,29H2,1H3InChIKey
PYCPEORLUHYKRF-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)CCC4
InChI=1SC27H26N4O5Sc13627(33)23176324921(17)3726(23)301975820(32)24(19)22(18(1428)25(30)29)15101216(131115)31(34)35h101322H2929H21H3
methyl2(2amino3cyano4(4nitrophenyl)5oxo4678tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(2amino3cyano4(4nitrophenyl)5oxo5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01305071
N#CC1=C(N)N(C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2)c1sc2c(c1C(=O)OC)CCCCC2
ZINC000003666027
ZINC000003666028
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Check stock on Vitas-MAvailable files
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