Vitas-M small molecule compound
2-{[(2Z)-2-cyano-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK587650
SMILES N#C/C(=C/c1ccc2c(c1)CC(O2)C)/C(=O)Nc1sc2c(c1C(=O)N)CCCC2
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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 C22H21N3O3S MW 407.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S/c1-12-8-14-9-13(6-7-17(14)28-12)10-15(11-23)21(27)25-22-19(20(24)26)16-4-2-3-5-18(16)29-22/h6-7,9-10,12H,2-5,8H2,1H3,(H2,24,26)(H,25,27)/b15-10-InChIKey
VWXUCNCXBJPTKA-GDNBJRDFSA-NSynonyms
872869-27-7(Z)2(2cyano3(2methyl23dihydrobenzofuran5yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxamide
2(((2Z)2cyano3(2methyl23dihydro1benzofuran5yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
2(((Z)2cyano3(2methyl23dihydro1benzofuran5yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxamide
872869277
CC1CC2=C(O1)C=CC(=C2)C=C(C#N)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N
InChI=1SC22H21N3O3Sc112814913(6717(14)2812)1015(1123)21(27)252219(20(24)26)16423518(16)2922h6791012H258H21H3(H22426)(H2527)b1510
MFCD06592423
N#CC(=Cc1ccc2c(c1)CC(O2)C)C(=O)Nc1sc2c(c1C(=O)N)CCCC2
ZINC000013811680
ZINC000013811681
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