Vitas-M small molecule compound
1-benzyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-2,3-dimethyl-1H-indole-5-carboxamide
Catalog ID
STK301321
SMILES N#Cc1c(NC(=S)NC(=O)c2ccc3c(c2)c(C)c(n3Cc2ccccc2)C)sc2c1CCCCC2
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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 C29H28N4OS2 MW 512.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4OS2/c1-18-19(2)33(17-20-9-5-3-6-10-20)25-14-13-21(15-23(18)25)27(34)31-29(35)32-28-24(16-30)22-11-7-4-8-12-26(22)36-28/h3,5-6,9-10,13-15H,4,7-8,11-12,17H2,1-2H3,(H2,31,32,34,35)InChIKey
LGBKCWRLELXXBT-UHFFFAOYSA-NSynonyms
438612-94-31benzylN((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamothioyl)23dimethyl1Hindole5carboxamide
1benzylN((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamothioyl)23dimethylindole5carboxamide
438612943
CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(=S)NC3=C(C4=C(S3)CCCCC4)C#N)CC5=CC=CC=C5)C
InChI=1SC29H28N4OS2c11819(2)33(172095361020)25141321(1523(18)25)27(34)3129(35)322824(1630)22117481226(22)3628h3569101315H478111217H212H3(H231323435)
MFCD02604555
ZINC000002726759
ZINC02726759
ZINC2726759
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