Vitas-M small molecule compound
2-amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK757236
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)[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/c27-13-18-17-8-2-1-3-11-22(17)35-26(18)30-20-9-5-10-21(32)24(20)23(19(14-28)25(30)29)15-6-4-7-16(12-15)31(33)34/h4,6-7,12,23H,1-3,5,8-11,29H2InChIKey
AOVFDBSBBKQIBG-UHFFFAOYSA-NSynonyms
311797-47-42amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)4(3nitrophenyl)5oxo4678tetrahydroquinoline3carbonitrile
311797474
C1CCC2=C(CC1)SC(=C2C#N)N3C4=C(C(C(=C3N)C#N)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)CCC4
InChI=1SC26H23N5O3Sc2713181782131122(17)3526(18)3020951021(32)24(20)23(19(1428)25(30)29)1564716(1215)31(33)34h4671223H13581129H2
MFCD01239832
N#CC1=C(N)N(C2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CCC2)c1sc2c(c1C#N)CCCCC2
ZINC000002573696
ZINC000003664812
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