Vitas-M small molecule compound
methyl 2-[({4-[(methylsulfonyl)(prop-2-en-1-yl)amino]phenyl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL113998
SMILES C=CCN(S(=O)(=O)C)c1ccc(cc1)C(=O)Nc1sc2c(c1C(=O)OC)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 C21H24N2O5S2 MW 448.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5S2/c1-4-13-23(30(3,26)27)15-11-9-14(10-12-15)19(24)22-20-18(21(25)28-2)16-7-5-6-8-17(16)29-20/h4,9-12H,1,5-8,13H2,2-3H3,(H,22,24)InChIKey
KITXKMZSKPPXSD-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)N(CC=C)S(=O)(=O)C
InChI=1SC21H24N2O5S2c141323(30(326)27)1511914(101215)19(24)222018(21(25)282)16756817(16)2920h4912H15813H223H3(H2224)
methyl2(((4((methylsulfonyl)(prop2en1yl)amino)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4(methylsulfonyl(prop2enyl)amino)benzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD05834962
ZINC000002876541
ZINC02876541
ZINC2876541
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