Vitas-M small molecule compound

4-{(1E)-3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl 4-methylbenzoate

Catalog ID
STK949281
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccc(cc1)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 C27H23N3O4S MW 485.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23N3O4S/c1-16-6-10-18(11-7-16)27(33)34-20-12-8-17(9-13-20)14-19(15-28)25(32)30-26-23(24(29)31)21-4-2-3-5-22(21)35-26/h6-14H,2-5H2,1H3,(H2,29,31)(H,30,32)/b19-14+
InChIKey
DCLMDFKOGPGNPN-XMHGGMMESA-N
Synonyms
469875-07-8
(4((E)3((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)2cyano3oxoprop1enyl)phenyl)4methylbenzoate
4((1E)3((3carbamoyl4567tetrahydro1benzothiophen2yl)amino)2cyano3oxoprop1en1yl)phenyl4methylbenzoate
469875078
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N
InChI=1SC27H23N3O4Sc11661018(11716)27(33)342012817(91320)1419(1528)25(32)302623(24(29)31)21423522(21)3526h614H25H21H3(H22931)(H3032)b1914+
MFCD02364643
N#CC(=Cc1ccc(cc1)OC(=O)c1ccc(cc1)C)C(=O)Nc1sc2c(c1C(=O)N)CCCC2
ZINC000001773211
ZINC01773211
ZINC1773211

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Available files

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