Vitas-M small molecule compound
methyl 2-[2-amino-4-(4-chlorophenyl)-3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK758386
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)Cl)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 C27H26ClN3O3S MW 508.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN3O3S/c1-34-27(33)23-17-6-3-2-4-9-21(17)35-26(23)31-19-7-5-8-20(32)24(19)22(18(14-29)25(31)30)15-10-12-16(28)13-11-15/h10-13,22H,2-9,30H2,1H3InChIKey
VMZDIKWCDJEFGL-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)Cl)C(=O)CCC4
InChI=1SC27H26ClN3O3Sc13427(33)23176324921(17)3526(23)311975820(32)24(19)22(18(1429)25(31)30)15101216(28)131115h101322H2930H21H3
methyl2(2amino4(4chlorophenyl)3cyano5oxo4678tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(2amino4(4chlorophenyl)3cyano5oxo5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01414398
ZINC000003666599
ZINC000003666600
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