Vitas-M small molecule compound
2-[7,7-dimethyl-4-(3-methylphenyl)-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
STK780886
SMILES N#Cc1c(sc2c1CCCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1cccc(c1)C
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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 C28H30N2O2S MW 458.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O2S/c1-17-8-7-9-18(12-17)20-13-25(32)30(22-14-28(2,3)15-23(31)26(20)22)27-21(16-29)19-10-5-4-6-11-24(19)33-27/h7-9,12,20H,4-6,10-11,13-15H2,1-3H3InChIKey
DWXLBRPSSMKUAS-UHFFFAOYSA-NSynonyms
2(77dimethyl4(3methylphenyl)25dioxo345678hexahydroquinolin1(2H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2(77dimethyl4(3methylphenyl)25dioxo3468tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
CC1=CC=CC(=C1)C2CC(=O)N(C3=C2C(=O)CC(C3)(C)C)C4=C(C5=C(S4)CCCCC5)C#N
InChI=1SC28H30N2O2Sc11787918(1217)201325(32)30(221428(23)1523(31)26(20)22)2721(1629)19105461124(19)3327h791220H4610111315H213H3
MFCD06013979
ZINC000001432341
ZINC000001432342
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