Vitas-M small molecule compound
2-amino-7-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL328487
SMILES CSc1ccc(cc1)C1C(=C(N)OC2=C1C(=O)CC(C2)C)C#N
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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 C18H18N2O2S MW 326.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O2S/c1-10-7-14(21)17-15(8-10)22-18(20)13(9-19)16(17)11-3-5-12(23-2)6-4-11/h3-6,10,16H,7-8,20H2,1-2H3InChIKey
SWDVWDHKAKGAFQ-UHFFFAOYSA-NSynonyms
2amino7methyl4(4(methylsulfanyl)phenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino7methyl4(4(methylthio)phenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino7methyl4(4methylsulfanylphenyl)5oxo4678tetrahydrochromene3carbonitrile
CC1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)SC)C(=O)C1
InChI=1SC18H18N2O2Sc110714(21)1715(810)2218(20)13(919)16(17)113512(232)6411h361016H7820H212H3
MFCD00811493
ZINC000000241983
ZINC000000241995
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