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]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Catalog ID
STK779397
SMILES N#Cc1c(sc2c1CCCCCC2)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 C29H32N2O2S MW 472.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N2O2S/c1-18-9-8-10-19(13-18)21-14-26(33)31(23-15-29(2,3)16-24(32)27(21)23)28-22(17-30)20-11-6-4-5-7-12-25(20)34-28/h8-10,13,21H,4-7,11-12,14-16H2,1-3H3InChIKey
FUIZVHNIOPFDOC-UHFFFAOYSA-NSynonyms
2(77dimethyl4(3methylphenyl)25dioxo345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(77dimethyl4(3methylphenyl)25dioxo3468tetrahydroquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
CC1=CC=CC(=C1)C2CC(=O)N(C3=C2C(=O)CC(C3)(C)C)C4=C(C5=C(S4)CCCCCC5)C#N
InChI=1SC29H32N2O2Sc118981019(1318)211426(33)31(231529(23)1624(32)27(21)23)2822(1730)201164571225(20)3428h8101321H4711121416H213H3
MFCD05858515
ZINC000012462755
ZINC000012462756
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