Vitas-M small molecule compound
(2E)-4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-methyl-4-oxobut-2-enoic acid
Catalog ID
STK428939
SMILES N#Cc1c(NC(=O)/C=C(/C(=O)O)\C)sc2c1CCCCC2
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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 C15H16N2O3S MW 304.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O3S/c1-9(15(19)20)7-13(18)17-14-11(8-16)10-5-3-2-4-6-12(10)21-14/h7H,2-6H2,1H3,(H,17,18)(H,19,20)/b9-7+InChIKey
XKZQZXOSPBLZKK-VQHVLOKHSA-NSynonyms
(2E)4((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)2methyl4oxobut2enoicacid
(E)4((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)2methyl4oxobut2enoicacid
CC(=CC(=O)NC1=C(C2=C(S1)CCCCC2)C#N)C(=O)O
InChI=1SC15H16N2O3Sc19(15(19)20)713(18)171411(816)105324612(10)2114h7H26H21H3(H1718)(H1920)b97+
MFCD02612551
N#Cc1c(NC(=O)C=C(C(=O)O)C)sc2c1CCCCC2
ZINC000005516736
ZINC5516736
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