Vitas-M small molecule compound

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

Catalog ID
STK731448
SMILES O=C(Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C)/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 C22H25N3O4S MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O4S/c1-22(2,3)14-8-9-16-17(12-14)30-21(19(16)20(23)27)24-18(26)10-7-13-5-4-6-15(11-13)25(28)29/h4-7,10-11,14H,8-9,12H2,1-3H3,(H2,23,27)(H,24,26)/b10-7+
InChIKey
LUYGWVDBSGOOKN-JXMROGBWSA-N
Synonyms

(E)6(tertbutyl)2(3(3nitrophenyl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxamide
6tertbutyl2(((2E)3(3nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
6tertbutyl2(((E)3(3nitrophenyl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC22H25N3O4Sc122(23)14891617(1214)3021(19(16)20(23)27)2418(26)1071354615(1113)25(28)29h47101114H8912H213H3(H22327)(H2426)b107+
MFCD01872065
O=C(Nc1sc2c(c1C(=O)N)CCC(C2)C(C)(C)C)C=Cc1cccc(c1)(N+)(=O)(O)
ZINC000000879599
ZINC000000879602

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Available files

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