Vitas-M small molecule compound
2-{7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-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
STK779792
SMILES CSc1ccc(cc1)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 C28H30N2O2S2 MW 490.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O2S2/c1-28(2)14-22-26(23(31)15-28)20(17-9-11-18(33-3)12-10-17)13-25(32)30(22)27-21(16-29)19-7-5-4-6-8-24(19)34-27/h9-12,20H,4-8,13-15H2,1-3H3InChIKey
DNPQXVVBGBTEKI-UHFFFAOYSA-NSynonyms
2(77dimethyl4(4(methylsulfanyl)phenyl)25dioxo345678hexahydroquinolin1(2H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2(77dimethyl4(4methylsulfanylphenyl)25dioxo3468tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCCC4)C#N)C5=CC=C(C=C5)SC)C(=O)C1)C
InChI=1SC28H30N2O2S2c128(2)142226(23(31)1528)20(1791118(333)121017)1325(32)30(22)2721(1629)197546824(19)3427h91220H481315H213H3
MFCD05859225
ZINC000012402377
ZINC000012402378
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