Vitas-M small molecule compound
1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl (2E)-3-(4-nitrophenyl)prop-2-enoate
Catalog ID
STK757998
SMILES CCC(C(=O)Nc1sc2c(c1C#N)CCCC2)OC(=O)/C=C/c1ccc(cc1)[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 C22H21N3O5S MW 439.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S/c1-2-18(30-20(26)12-9-14-7-10-15(11-8-14)25(28)29)21(27)24-22-17(13-23)16-5-3-4-6-19(16)31-22/h7-12,18H,2-6H2,1H3,(H,24,27)/b12-9+InChIKey
XCSXWRSUXAHIPO-FMIVXFBMSA-NSynonyms
(1((3cyano4567tetrahydro1benzothiophen2yl)amino)1oxobutan2yl)(E)3(4nitrophenyl)prop2enoate
1((3cyano4567tetrahydro1benzothiophen2yl)amino)1oxobutan2yl(2E)3(4nitrophenyl)prop2enoate
CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)OC(=O)C=CC3=CC=C(C=C3)(N+)(=O)(O)
CCC(C(=O)Nc1sc2c(c1C#N)CCCC2)OC(=O)C=Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H21N3O5Sc1218(3020(26)1291471015(11814)25(28)29)21(27)242217(1323)16534619(16)3122h71218H26H21H3(H2427)b129+
MFCD01305393
ZINC000003666150
ZINC000012418427
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