Vitas-M small molecule compound

N-[(2S)-1-(1,3-dihydro-2H-benzimidazol-2-ylideneamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Catalog ID
STK646600
SMILES CSCC[C@@H](C(=O)/N=c/1\[nH]c2c([nH]1)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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-30-11-10-15(19(26)25-21-23-13-6-2-3-7-14(13)24-21)22-20(27)18-12-28-16-8-4-5-9-17(16)29-18/h2-9,15,18H,10-12H2,1H3,(H,22,27)(H2,23,24,25,26)/t15-,18?/m0/s1
InChIKey
UREICCCUUVWLGW-BUSXIPJBSA-N
Synonyms
1212440-96-4
1212440964
CSCC(C@@H)(C(=O)N=c1(nH)c2c((nH)1)cccc2)NC(=O)C1COc2c(O1)cccc2
CSCCC(C(=O)NC1=NC2=CC=CC=C2N1)NC(=O)C3COC4=CC=CC=C4O3
InChI=1SC21H22N4O4Sc130111015(19(26)25212313623714(13)2421)2220(27)18122816845917(16)2918h291518H1012H21H3(H2227)(H223242526)t1518?m0s1
MFCD18164303
N((2S)1(13dihydro2Hbenzimidazol2ylideneamino)4(methylsulfanyl)1oxobutan2yl)23dihydro14benzodioxine2carboxamide
N((2S)1(1Hbenzimidazol2ylamino)4methylsulfanyl1oxobutan2yl)23dihydro14benzodioxine3carboxamide
ZINC000020744503
ZINC000020744504

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Available files

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