Vitas-M small molecule compound

2-(4-{(E)-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}-2-methoxyphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide

Catalog ID
STK376799
SMILES COc1cc(ccc1OCC(=O)Nc1cc(ccc1C)[N+](=O)[O-])/C=N/c1sc2c(c1C#N)CCC(C2)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 C27H26N4O5S MW 518.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O5S/c1-16-4-8-20-21(13-28)27(37-25(20)10-16)29-14-18-6-9-23(24(11-18)35-3)36-15-26(32)30-22-12-19(31(33)34)7-5-17(22)2/h5-7,9,11-12,14,16H,4,8,10,15H2,1-3H3,(H,30,32)/b29-14+
InChIKey
WCDVEMRVZHFNBB-IPPBACCNSA-N
Synonyms

2(4((E)((3cyano6methyl4567tetrahydro1benzothiophen2yl)imino)methyl)2methoxyphenoxy)N(2methyl5nitrophenyl)acetamide
2(4((E)(3cyano6methyl4567tetrahydro1benzothiophen2yl)iminomethyl)2methoxyphenoxy)N(2methyl5nitrophenyl)acetamide
CC1CCC2=C(C1)SC(=C2C#N)N=CC3=CC(=C(C=C3)OCC(=O)NC4=C(C=CC(=C4)(N+)(=O)(O))C)OC
COc1cc(ccc1OCC(=O)Nc1cc(ccc1C)(N+)(=O)(O))C=Nc1sc2c(c1C#N)CCC(C2)C
InChI=1SC27H26N4O5Sc116482021(1328)27(3725(20)1016)2914186923(24(1118)353)361526(32)30221219(31(33)34)7517(22)2h57911121416H481015H213H3(H3032)b2914+
MFCD01445041
ZINC000004179484
ZINC000004179487

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Available files

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