Vitas-M small molecule compound
N-[(2E)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)acetamide
Catalog ID
STL154451
SMILES O=C(CC1NC(=O)c2c(N=C1O)cccc2)/N=c/1\[nH]nc(s1)C1CCCCC1
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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 C19H21N5O3S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O3S/c25-15(22-19-24-23-18(28-19)11-6-2-1-3-7-11)10-14-17(27)20-13-9-5-4-8-12(13)16(26)21-14/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,20,27)(H,21,26)(H,22,24,25)InChIKey
MQJDLDDHGKHMSL-UHFFFAOYSA-NSynonyms
C1CCC(CC1)C2=NN=C(S2)NC(=O)CC3C(=O)NC4=CC=CC=C4C(=O)N3
InChI=1SC19H21N5O3Sc2515(2219242318(2819)116213711)101417(27)2013954812(13)16(26)2114h45891114H136710H2(H2027)(H2126)(H222425)
MFCD20756996
N((2E)5cyclohexyl134thiadiazol2(3H)ylidene)2(2hydroxy5oxo45dihydro3H14benzodiazepin3yl)acetamide
N(5cyclohexyl134thiadiazol2yl)2(25dioxo34dihydro1H14benzodiazepin3yl)acetamide
O=C(CC1NC(=O)c2c(N=C1O)cccc2)N=c1(nH)nc(s1)C1CCCCC1
ZINC000049550993
ZINC000071328895
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