Vitas-M small molecule compound
methyl 6-methyl-2-{[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL019678
SMILES COC(=O)c1c(NC(=O)CC2Sc3ccccc3NC2=O)sc2c1CCC(C2)C
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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 C21H22N2O4S2 MW 430.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S2/c1-11-7-8-12-15(9-11)29-20(18(12)21(26)27-2)23-17(24)10-16-19(25)22-13-5-3-4-6-14(13)28-16/h3-6,11,16H,7-10H2,1-2H3,(H,22,25)(H,23,24)InChIKey
SBKQAXUBRATXQE-UHFFFAOYSA-NSynonyms
685130-38-5685130385
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CC3C(=O)NC4=CC=CC=C4S3
InChI=1SC21H22N2O4S2c111781215(911)2920(18(12)21(26)272)2317(24)101619(25)2213534614(13)2816h361116H710H212H3(H2225)(H2324)
methyl6methyl2(((3oxo34dihydro2H14benzothiazin2yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl6methyl2((2(3oxo4H14benzothiazin2yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03545060
ZINC000000938453
ZINC000000938456
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