Vitas-M small molecule compound

6-ethyl-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK441093
SMILES CCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]

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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 C20H21N3O4S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S/c1-2-12-6-8-15-16(11-12)28-20(18(15)19(21)25)22-17(24)9-7-13-4-3-5-14(10-13)23(26)27/h3-5,7,9-10,12H,2,6,8,11H2,1H3,(H2,21,25)(H,22,24)/b9-7+
InChIKey
GKFSWHJEVXWQHN-VQHVLOKHSA-N
Synonyms

6ethyl2(((2E)3(3nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
6ethyl2(((E)3(3nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O)
CCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)C=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC20H21N3O4Sc1212681516(1112)2820(18(15)19(21)25)2217(24)971343514(1013)23(26)27h35791012H26811H21H3(H22125)(H2224)b97+
MFCD03362406
ZINC000000997914
ZINC000000997916

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Available files

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