Vitas-M small molecule compound
methyl 2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinolin-1(4H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK759175
SMILES N#CC1=C(N)N(C2=C(C1c1ccccc1)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 C29H31N3O3S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S/c1-29(2)14-20-25(21(33)15-29)23(17-10-6-4-7-11-17)19(16-30)26(31)32(20)27-24(28(34)35-3)18-12-8-5-9-13-22(18)36-27/h4,6-7,10-11,23H,5,8-9,12-15,31H2,1-3H3InChIKey
DCKAHFGZEYMSHQ-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCCC4)C(=O)OC)N)C#N)C5=CC=CC=C5)C(=O)C1)C
InChI=1SC29H31N3O3Sc129(2)142025(21(33)1529)23(17106471117)19(1630)26(31)32(20)2724(28(34)353)18128591322(18)3627h467101123H589121531H213H3
methyl2(2amino3cyano77dimethyl5oxo4phenyl5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(2amino3cyano77dimethyl5oxo4phenyl68dihydro4Hquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01460901
ZINC000003667563
ZINC000003667564
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