Vitas-M small molecule compound
2-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)-N-[(2E)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]acetamide
Catalog ID
STK657505
SMILES O=C(CC1NC(=O)c2c(N=C1O)cccc2)/N=c\1/sc2c([nH]1)ccc(c2)S(=O)(=O)C
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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 C19H16N4O5S2 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N4O5S2/c1-30(27,28)10-6-7-13-15(8-10)29-19(22-13)23-16(24)9-14-18(26)20-12-5-3-2-4-11(12)17(25)21-14/h2-8,14H,9H2,1H3,(H,20,26)(H,21,25)(H,22,23,24)InChIKey
IYSGXJZJPPYPKF-UHFFFAOYSA-NSynonyms
2(25dioxo34dihydro1H14benzodiazepin3yl)N(6methylsulfonyl13benzothiazol2yl)acetamide
2(2hydroxy5oxo45dihydro3H14benzodiazepin3yl)N((2E)6(methylsulfonyl)13benzothiazol2(3H)ylidene)acetamide
CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CC3C(=O)NC4=CC=CC=C4C(=O)N3
InChI=1SC19H16N4O5S2c130(2728)10671315(810)2919(2213)2316(24)91418(26)2012532411(12)17(25)2114h2814H9H21H3(H2026)(H2125)(H222324)
MFCD18168058
O=C(CC1NC(=O)c2c(N=C1O)cccc2)N=c1sc2c((nH)1)ccc(c2)S(=O)(=O)C
ZINC000032074794
ZINC000036594823
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