Vitas-M small molecule compound
6-[(2-amino-2-oxoethyl)sulfanyl]-N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STL049233
SMILES N#CC1=C(SCC(=O)N)NC(=C(C1c1ccco1)C(=O)/N=c\1/sc2c([nH]1)cccc2)C
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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 C21H17N5O3S2 MW 451.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O3S2/c1-11-17(19(28)26-21-25-13-5-2-3-7-15(13)31-21)18(14-6-4-8-29-14)12(9-22)20(24-11)30-10-16(23)27/h2-8,18,24H,10H2,1H3,(H2,23,27)(H,25,26,28)InChIKey
GFHJMIXKKXPQAD-UHFFFAOYSA-NSynonyms
701227-20-56((2amino2oxoethyl)sulfanyl)N((2E)13benzothiazol2(3H)ylidene)5cyano4(furan2yl)2methyl14dihydropyridine3carboxamide
6(2AMINO2OXOETHYL)SULFANYLN(13BENZOTHIAZOL2YL)5CYANO4(FURAN2YL)2METHYL14DIHYDROPYRIDINE3CARBOXAMIDE
701227205
CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CO2)C(=O)NC3=NC4=CC=CC=C4S3
InChI=1SC21H17N5O3S2c11117(19(28)26212513523715(13)3121)18(146482914)12(922)20(2411)301016(23)27h281824H10H21H3(H22327)(H252628)
MFCD05725815
N#CC1=C(SCC(=O)N)NC(=C(C1c1ccco1)C(=O)N=c1sc2c((nH)1)cccc2)C
ZINC000009458382
ZINC000009458384
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