Vitas-M small molecule compound
2-(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]acetamide
Catalog ID
STL320201
SMILES O=C(CC1NC(=O)c2c(N=C1O)cccc2)/N=c/1\[nH]nc(s1)CCc1ccccc1
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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 C21H19N5O3S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3S/c27-17(12-16-20(29)22-15-9-5-4-8-14(15)19(28)23-16)24-21-26-25-18(30-21)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,22,29)(H,23,28)(H,24,26,27)InChIKey
MRCHQROSVIZILB-UHFFFAOYSA-NSynonyms
2(25dioxo34dihydro1H14benzodiazepin3yl)N(5(2phenylethyl)134thiadiazol2yl)acetamide
2(2hydroxy5oxo45dihydro3H14benzodiazepin3yl)N((2E)5(2phenylethyl)134thiadiazol2(3H)ylidene)acetamide
InChI=1SC21H19N5O3Sc2717(121620(29)2215954814(15)19(28)2316)2421262518(3021)1110136213713h1916H1012H2(H2229)(H2328)(H242627)
MFCD28029360
O=C(CC1NC(=O)c2c(N=C1O)cccc2)N=c1(nH)nc(s1)CCc1ccccc1
ZINC000095480638
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