Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-3-(1-benzyl-1H-indol-3-yl)-2-cyanoprop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL001193
SMILES N#C/C(=C\c1cn(c2c1cccc2)Cc1ccccc1)/C(=O)Nc1sc2c(c1C(=O)OC(C)C)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 C31H29N3O3S MW 523.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O3S/c1-20(2)37-31(36)28-25-13-7-9-15-27(25)38-30(28)33-29(35)22(17-32)16-23-19-34(18-21-10-4-3-5-11-21)26-14-8-6-12-24(23)26/h3-6,8,10-12,14,16,19-20H,7,9,13,15,18H2,1-2H3,(H,33,35)/b22-16+InChIKey
RXNGESMYTCFYOO-CJLVFECKSA-NSynonyms
488851-97-4(E)isopropyl2(3(1benzyl1Hindol3yl)2cyanoacrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
488851974
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C#N
InChI=1SC31H29N3O3Sc120(2)3731(36)282513791527(25)3830(28)3329(35)22(1732)16231934(1821104351121)2614861224(23)26h368101214161920H79131518H212H3(H3335)b2216+
MFCD03294673
N#CC(=Cc1cn(c2c1cccc2)Cc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
propan2yl2(((2E)3(1benzyl1Hindol3yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2(((E)3(1benzylindol3yl)2cyanoprop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002206271
ZINC02206271
ZINC2206271
Check stock
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