Vitas-M small molecule compound
2-[4-(2-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
STK779769
SMILES N#Cc1c(sc2c1CCCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1ccccc1OC
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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)14-21-26(22(31)15-28)19(17-9-7-8-11-23(17)33-3)13-25(32)30(21)27-20(16-29)18-10-5-4-6-12-24(18)34-27/h7-9,11,19H,4-6,10,12-15H2,1-3H3InChIKey
MSOUBYRSXHKDLJ-UHFFFAOYSA-NSynonyms
2(4(2methoxyphenyl)77dimethyl25dioxo345678hexahydroquinolin1(2H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2(4(2methoxyphenyl)77dimethyl25dioxo3468tetrahydroquinolin1yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCCC4)C#N)C5=CC=CC=C5OC)C(=O)C1)C
InChI=1SC28H30N2O3Sc128(2)142126(22(31)1528)19(179781123(17)333)1325(32)30(21)2720(1629)18105461224(18)3427h791119H46101215H213H3
MFCD05859141
ZINC000001430154
ZINC000001430155
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