Vitas-M small molecule compound

2-{[(E)-{4-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Catalog ID
STL384126
SMILES N#Cc1c(/N=C/c2ccc(c(c2)[N+](=O)[O-])Sc2nnc([nH]2)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 C19H16N6O2S2 MW 424.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N6O2S2/c1-11-22-19(24-23-11)29-17-7-6-12(8-15(17)25(26)27)10-21-18-14(9-20)13-4-2-3-5-16(13)28-18/h6-8,10H,2-5H2,1H3,(H,22,23,24)/b21-10+
InChIKey
AEWOCQPJHGYJSG-UFFVCSGVSA-N
Synonyms

2(((E)(4((5methyl4H124triazol3yl)sulfanyl)3nitrophenyl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((E)(4((5methyl1H124triazol3yl)sulfanyl)3nitrophenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
CC1=NC(=NN1)SC2=C(C=C(C=C2)C=NC3=C(C4=C(S3)CCCC4)C#N)(N+)(=O)(O)
InChI=1SC19H16N6O2S2c1112219(242311)29177612(815(17)25(26)27)10211814(920)13423516(13)2818h6810H25H21H3(H222324)b2110+
MFCD04481742
N#Cc1c(N=Cc2ccc(c(c2)(N+)(=O)(O))Sc2nnc((nH)2)C)sc2c1CCCC2
ZINC000003766996

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Available files

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