Vitas-M small molecule compound
3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)-N-[(2E)-5-(2-phenylethyl)-1,3,4-thiadiazol-2(3H)-ylidene]propanamide
Catalog ID
STL320520
SMILES O=C(/N=c/1\[nH]nc(s1)CCc1ccccc1)CCC1NC(=O)c2c(N=C1O)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 C22H21N5O3S MW 435.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3S/c28-18(25-22-27-26-19(31-22)13-10-14-6-2-1-3-7-14)12-11-17-21(30)23-16-9-5-4-8-15(16)20(29)24-17/h1-9,17H,10-13H2,(H,23,30)(H,24,29)(H,25,27,28)InChIKey
NDIKIBQPPBCDEL-UHFFFAOYSA-NSynonyms
3(25dioxo34dihydro1H14benzodiazepin3yl)N(5(2phenylethyl)134thiadiazol2yl)propanamide
3(2hydroxy5oxo45dihydro3H14benzodiazepin3yl)N((2E)5(2phenylethyl)134thiadiazol2(3H)ylidene)propanamide
InChI=1SC22H21N5O3Sc2818(2522272619(3122)1310146213714)12111721(30)2316954815(16)20(29)2417h1917H1013H2(H2330)(H2429)(H252728)
MFCD28029539
O=C(N=c1(nH)nc(s1)CCc1ccccc1)CCC1NC(=O)c2c(N=C1O)cccc2
ZINC000095480871
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