Vitas-M small molecule compound
methyl 2-[2-amino-4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK674803
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)(C)C)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 C29H30BrN3O3S MW 580.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30BrN3O3S/c1-29(2)13-20-25(21(34)14-29)23(16-9-11-17(30)12-10-16)19(15-31)26(32)33(20)27-24(28(35)36-3)18-7-5-4-6-8-22(18)37-27/h9-12,23H,4-8,13-14,32H2,1-3H3InChIKey
NQUKYHNUXVFHTI-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCCC4)C(=O)OC)N)C#N)C5=CC=C(C=C5)Br)C(=O)C1)C
InChI=1SC29H30BrN3O3Sc129(2)132025(21(34)1429)23(1691117(30)121016)19(1531)26(32)33(20)2724(28(35)363)187546822(18)3727h91223H48131432H213H3
methyl2(2amino4(4bromophenyl)3cyano77dimethyl5oxo5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(2amino4(4bromophenyl)3cyano77dimethyl5oxo68dihydro4Hquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01460725
ZINC000002188819
ZINC000002188820
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