Vitas-M small molecule compound
N-{(2S)-4-(methylsulfanyl)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Catalog ID
STK638026
SMILES CSCC[C@@H](C(=O)Nc1ncc(s1)C)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 C18H21N3O4S2 MW 407.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O4S2/c1-11-9-19-18(27-11)21-16(22)12(7-8-26-2)20-17(23)15-10-24-13-5-3-4-6-14(13)25-15/h3-6,9,12,15H,7-8,10H2,1-2H3,(H,20,23)(H,19,21,22)/t12-,15?/m0/s1InChIKey
NUSBOCWJFVUICE-SFVWDYPZSA-NSynonyms
1212433-33-41212433334
CC1=CN=C(S1)NC(=O)C(CCSC)NC(=O)C2COC3=CC=CC=C3O2
CSCC(C@@H)(C(=O)Nc1ncc(s1)C)NC(=O)C1COc2c(O1)cccc2
InChI=1SC18H21N3O4S2c11191918(2711)2116(22)12(78262)2017(23)15102413534614(13)2515h3691215H7810H212H3(H2023)(H192122)t1215?m0s1
MFCD18161562
N((2S)4(methylsulfanyl)1((5methyl13thiazol2yl)amino)1oxobutan2yl)23dihydro14benzodioxine2carboxamide
N((2S)4methylsulfanyl1((5methyl13thiazol2yl)amino)1oxobutan2yl)23dihydro14benzodioxine3carboxamide
N((S)1((5methylthiazol2yl)amino)4(methylthio)1oxobutan2yl)23dihydrobenzo(b)(14)dioxine2carboxamide
ZINC000020724922
ZINC000020724926
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