Vitas-M small molecule compound

3-hydroxy-N-[1-(1-methyl-1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2H-1,4-benzoxazine-6-carboxamide

Catalog ID
STL423851
SMILES CSCCC(c1nc2c(n1C)cccc2)NC(=O)c1ccc2c(c1)N=C(CO2)O

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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-25-17-6-4-3-5-14(17)23-20(25)15(9-10-29-2)24-21(27)13-7-8-18-16(11-13)22-19(26)12-28-18/h3-8,11,15H,9-10,12H2,1-2H3,(H,22,26)(H,24,27)
InChIKey
XNONRFKYFZCSKV-UHFFFAOYSA-N
Synonyms

3hydroxyN(1(1methyl1Hbenzimidazol2yl)3(methylsulfanyl)propyl)2H14benzoxazine6carboxamide
CN1C2=CC=CC=C2N=C1C(CCSC)NC(=O)C3=CC4=C(C=C3)OCC(=O)N4
InChI=1SC21H22N4O3Sc12517643514(17)2320(25)15(910292)2421(27)13781816(1113)2219(26)122818h381115H91012H212H3(H2226)(H2427)
MFCD30709031
N(1(1methylbenzimidazol2yl)3methylsulfanylpropyl)3oxo4H14benzoxazine6carboxamide
ZINC000218219741
ZINC000252570999

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Available files

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