Vitas-M small molecule compound
N-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
Catalog ID
STL062556
SMILES COc1ccc2c(c1)sc(c2Cl)C(=O)NC(=S)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 C20H18ClN3O3S3 MW 480.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O3S3/c1-27-9-6-7-11-13(8-9)29-16(15(11)21)18(26)23-20(28)24-19-14(17(22)25)10-4-2-3-5-12(10)30-19/h6-8H,2-5H2,1H3,(H2,22,25)(H2,23,24,26,28)InChIKey
BRXNSKNQLCRVKB-UHFFFAOYSA-NSynonyms
COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C4=C(S3)CCCC4)C(=O)N)Cl
InChI=1SC20H18ClN3O3S3c1279671113(89)2916(15(11)21)18(26)2320(28)241914(17(22)25)10423512(10)3019h68H25H21H3(H22225)(H223242628)
MFCD03590195
N((3carbamoyl4567tetrahydro1benzothiophen2yl)carbamothioyl)3chloro6methoxy1benzothiophene2carboxamide
ZINC000012289711
ZINC12289711
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