Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
Catalog ID
STK851623
SMILES N#Cc1c(NC(=O)c2cc(=O)c3c(o2)c(C)c(cc3)C)sc2c1CCCC2
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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 C21H18N2O3S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O3S/c1-11-7-8-14-16(24)9-17(26-19(14)12(11)2)20(25)23-21-15(10-22)13-5-3-4-6-18(13)27-21/h7-9H,3-6H2,1-2H3,(H,23,25)InChIKey
KWUMTPWDMGQFKL-UHFFFAOYSA-NSynonyms
874138-96-2874138962
CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C
InChI=1SC21H18N2O3Sc111781416(24)917(2619(14)12(11)2)20(25)232115(1022)13534618(13)2721h79H36H212H3(H2325)
MFCD06786483
N(3cyano4567tetrahydro1benzothiophen2yl)78dimethyl4oxo4Hchromene2carboxamide
N(3cyano4567tetrahydro1benzothiophen2yl)78dimethyl4oxochromene2carboxamide
N(3cyano4567tetrahydrobenzo(b)thiophen2yl)78dimethyl4oxo4Hchromene2carboxamide
ZINC000005345962
ZINC05345962
ZINC5345962
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