Vitas-M small molecule compound
methyl 1-({(2E)-2-[(phenylsulfonyl)imino]-2,3-dihydro-1,3-benzothiazol-6-yl}carbonyl)piperidine-4-carboxylate
Catalog ID
STK636354
SMILES COC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)s/c(=N/S(=O)(=O)c1ccccc1)/[nH]2
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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 C21H21N3O5S2 MW 459.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O5S2/c1-29-20(26)14-9-11-24(12-10-14)19(25)15-7-8-17-18(13-15)30-21(22-17)23-31(27,28)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,22,23)InChIKey
UFPTXTYFIDSCGK-UHFFFAOYSA-NSynonyms
951960-71-7951960717
COC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)sc(=NS(=O)(=O)c1ccccc1)(nH)2
COC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(S3)NS(=O)(=O)C4=CC=CC=C4
InChI=1SC21H21N3O5S2c12920(26)1491124(121014)19(25)15781718(1315)3021(2217)2331(2728)165324616h281314H912H21H3(H2223)
methyl1(((2E)2((phenylsulfonyl)imino)23dihydro13benzothiazol6yl)carbonyl)piperidine4carboxylate
methyl1(2(benzenesulfonamido)13benzothiazole6carbonyl)piperidine4carboxylate
MFCD18161042
ZINC000013689785
ZINC13689785
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