Vitas-M small molecule compound
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757573
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CCC2)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 C26H23N5O3S MW 485.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O3S/c27-13-18-17-5-2-1-3-8-22(17)35-26(18)30-20-6-4-7-21(32)24(20)23(19(14-28)25(30)29)15-9-11-16(12-10-15)31(33)34/h9-12,23H,1-8,29H2InChIKey
HJLZVAVZZHHWFW-UHFFFAOYSA-NSynonyms
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(4nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
C1CCC2=C(CC1)SC(=C2C#N)N3C4=C(C(C(=C3N)C#N)C5=CC=C(C=C5)(N+)(=O)(O))C(=O)CCC4
InChI=1SC26H23N5O3Sc271318175213822(17)3526(18)302064721(32)24(20)23(19(1428)25(30)29)1591116(121015)31(33)34h91223H1829H2
MFCD01306156
N#CC1=C(N)N(C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CCC2)c1sc2c(c1C#N)CCCCC2
ZINC000003665044
ZINC000003665045
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