Vitas-M small molecule compound
methyl 2-[2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-1(4H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK758643
SMILES COC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CC(C)(C)CC2=O)c1cccs1)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 C27H29N3O3S2 MW 507.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S2/c1-27(2)12-17-23(18(31)13-27)21(20-10-7-11-34-20)16(14-28)24(29)30(17)25-22(26(32)33-3)15-8-5-4-6-9-19(15)35-25/h7,10-11,21H,4-6,8-9,12-13,29H2,1-3H3InChIKey
KYIGLNRXPXYVGO-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(N2C3=C(C4=C(S3)CCCCC4)C(=O)OC)N)C#N)C5=CC=CS5)C(=O)C1)C
InChI=1SC27H29N3O3S2c127(2)121723(18(31)1327)21(20107113420)16(1428)24(29)30(17)2522(26(32)333)158546919(15)3525h7101121H4689121329H213H3
methyl2(2amino3cyano77dimethyl5oxo4(thiophen2yl)5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(2amino3cyano77dimethyl5oxo4thiophen2yl68dihydro4Hquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD01460093
ZINC000003666904
ZINC000003666905
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