Vitas-M small molecule compound
methyl 2-[2-amino-3-cyano-4-(4-methoxyphenyl)-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
STK759176
SMILES COc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1sc2c(c1C(=O)OC)CCCCC2)C#N
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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 C30H33N3O4S MW 531.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O4S/c1-30(2)14-21-26(22(34)15-30)24(17-10-12-18(36-3)13-11-17)20(16-31)27(32)33(21)28-25(29(35)37-4)19-8-6-5-7-9-23(19)38-28/h10-13,24H,5-9,14-15,32H2,1-4H3InChIKey
GTODKDGDKROYGW-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)OC)C(=O)C1)C
InChI=1SC30H33N3O4Sc130(2)142126(22(34)1530)24(17101218(363)131117)20(1631)27(32)33(21)2825(29(35)374)198657923(19)3828h101324H59141532H214H3
methyl2(2amino3cyano4(4methoxyphenyl)77dimethyl5oxo5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(2amino3cyano4(4methoxyphenyl)77dimethyl5oxo68dihydro4Hquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01460903
ZINC000003667567
ZINC000003667568
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