Vitas-M small molecule compound
2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile (non-preferred name)
Catalog ID
STK762948
SMILES N#Cc1c(sc2c1CCCCC2)N1C(=O)C2C(C1=O)C1c3c(C2c2c1cccc2)cccc3
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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 C28H22N2O2S MW 450.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O2S/c29-14-20-15-8-2-1-3-13-21(15)33-28(20)30-26(31)24-22-16-9-4-5-10-17(16)23(25(24)27(30)32)19-12-7-6-11-18(19)22/h4-7,9-12,22-25H,1-3,8,13H2InChIKey
RPXJQDYZWUUNHH-UHFFFAOYSA-NSynonyms
309923-55-52(1214dioxo11121415tetrahydro9H910(34)epipyrroloanthracen13(10H)yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile
2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)5678tetrahydro4Hcyclohepta(b)thiophene3carbonitrile(nonpreferredname)
309923555
C1CCC2=C(CC1)SC(=C2C#N)N3C(=O)C4C(C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI=1SC28H22N2O2Sc2914201582131321(15)3328(20)3026(31)2422169451017(16)23(25(24)27(30)32)1912761118(19)22h479122225H13813H2
MFCD01876018
ZINC000000862696
ZINC000018120865
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