Vitas-M small molecule compound
2-[4-(3-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Catalog ID
STK779759
SMILES COc1cccc(c1)C1CC(=O)N(C2=C1C(=O)CC(C2)(C)C)c1sc2c(c1C#N)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 C28H30N2O3S MW 474.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O3S/c1-28(2)14-22-26(23(31)15-28)20(17-8-7-9-18(12-17)33-3)13-25(32)30(22)27-21(16-29)19-10-5-4-6-11-24(19)34-27/h7-9,12,20H,4-6,10-11,13-15H2,1-3H3InChIKey
LRLBSRRUYYAHRX-UHFFFAOYSA-NSynonyms
2(4(3methoxyphenyl)77dimethyl25dioxo345678hexahydroquinolin1(2H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2(4(3methoxyphenyl)77dimethyl25dioxo3468tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCCC4)C#N)C5=CC(=CC=C5)OC)C(=O)C1)C
InChI=1SC28H30N2O3Sc128(2)142226(23(31)1528)20(1787918(1217)333)1325(32)30(22)2721(1629)19105461124(19)3427h791220H4610111315H213H3
MFCD05859123
ZINC000001430138
ZINC000001430139
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