Vitas-M small molecule compound
ethyl 2-[2-amino-4-(5-tert-butylthiophen-2-yl)-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
STK758245
SMILES CCOC(=O)c1c(sc2c1CCCCC2)N1C(=C(C#N)C(C2=C1CCCC2=O)c1ccc(s1)C(C)(C)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 C30H35N3O3S2 MW 549.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O3S2/c1-5-36-29(35)25-17-10-7-6-8-13-21(17)38-28(25)33-19-11-9-12-20(34)26(19)24(18(16-31)27(33)32)22-14-15-23(37-22)30(2,3)4/h14-15,24H,5-13,32H2,1-4H3InChIKey
UZZLIIKYHGRYFS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)N3C4=C(C(C(=C3N)C#N)C5=CC=C(S5)C(C)(C)C)C(=O)CCC4
ethyl2(2amino4(5tertbutylthiophen2yl)3cyano5oxo4678tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2(2amino4(5tertbutylthiophen2yl)3cyano5oxo5678tetrahydroquinolin1(4H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC30H35N3O3S2c153629(35)2517107681321(17)3828(25)33191191220(34)26(19)24(18(1631)27(33)32)22141523(3722)30(23)4h141524H51332H214H3
MFCD01414963
ZINC000002188856
ZINC000002188857
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