Vitas-M small molecule compound
N-[(2E)-5-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide
Catalog ID
STL311330
SMILES CCCCc1n[nH]/c(=N\C(=O)CCC2NC(=O)c3c(N=C2O)cccc3)/s1
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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 C18H21N5O3S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5O3S/c1-2-3-8-15-22-23-18(27-15)21-14(24)10-9-13-17(26)19-12-7-5-4-6-11(12)16(25)20-13/h4-7,13H,2-3,8-10H2,1H3,(H,19,26)(H,20,25)(H,21,23,24)InChIKey
FTYBWRRAXLVYOK-UHFFFAOYSA-NSynonyms
CCCCc1n(nH)c(=NC(=O)CCC2NC(=O)c3c(N=C2O)cccc3)s1
InChI=1SC18H21N5O3Sc123815222318(2715)2114(24)1091317(26)1912754611(12)16(25)2013h4713H23810H21H3(H1926)(H2025)(H212324)
MFCD28026038
N((2E)5butyl134thiadiazol2(3H)ylidene)3(2hydroxy5oxo45dihydro3H14benzodiazepin3yl)propanamide
N(5butyl134thiadiazol2yl)3(25dioxo34dihydro1H14benzodiazepin3yl)propanamide
ZINC000095473980
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