Vitas-M small molecule compound
N-[1-(1,3-benzothiazol-2-ylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Catalog ID
STL351573
SMILES CSCCC(C(=O)Nc1nc2c(s1)cccc2)NC(=O)C1COc2c(O1)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 C21H21N3O4S2 MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O4S2/c1-29-11-10-14(19(25)24-21-23-13-6-2-5-9-18(13)30-21)22-20(26)17-12-27-15-7-3-4-8-16(15)28-17/h2-9,14,17H,10-12H2,1H3,(H,22,26)(H,23,24,25)InChIKey
BRRJGBNLJUCNQA-UHFFFAOYSA-NSynonyms
CSCC(C@@H)(C(=O)Nc1nc2c(s1)cccc2)NC(=O)C1COc2c(O1)cccc2
CSCCC(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3COC4=CC=CC=C4O3
InChI=1SC21H21N3O4S2c129111014(19(25)24212313625918(13)3021)2220(26)17122715734816(15)2817h291417H1012H21H3(H2226)(H232425)
MFCD28032419
N((S)1(benzo(d)thiazol2ylamino)4(methylthio)1oxobutan2yl)23dihydrobenzo(b)(14)dioxine2carboxamide
N(1(13benzothiazol2ylamino)4(methylsulfanyl)1oxobutan2yl)23dihydro14benzodioxine2carboxamide
N(1(13benzothiazol2ylamino)4methylsulfanyl1oxobutan2yl)23dihydro14benzodioxine3carboxamide
ZINC000020723272
ZINC000036584396
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