Vitas-M small molecule compound

propan-2-yl 2-{[(2E)-2-cyano-3-(1-methyl-1H-indol-3-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL002531
SMILES N#C/C(=C\c1cn(c2c1cccc2)C)/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 C25H25N3O3S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3S/c1-15(2)31-25(30)22-19-9-5-7-11-21(19)32-24(22)27-23(29)16(13-26)12-17-14-28(3)20-10-6-4-8-18(17)20/h4,6,8,10,12,14-15H,5,7,9,11H2,1-3H3,(H,27,29)/b16-12+
InChIKey
SDDUOEMOFMWDQA-FOWTUZBSSA-N
Synonyms
488823-88-7
(E)isopropyl2(2cyano3(1methyl1Hindol3yl)acrylamido)4567tetrahydrobenzo(b)thiophene3carboxylate
488823887
CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CN(C4=CC=CC=C43)C)C#N
InChI=1SC25H25N3O3Sc115(2)3125(30)22199571121(19)3224(22)2723(29)16(1326)12171428(3)201064818(17)20h46810121415H57911H213H3(H2729)b1612+
MFCD03293789
N#CC(=Cc1cn(c2c1cccc2)C)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2
propan2yl2(((2E)2cyano3(1methyl1Hindol3yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
propan2yl2(((E)2cyano3(1methylindol3yl)prop2enoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000002366342
ZINC02366342
ZINC2366342

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Available files

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