Vitas-M small molecule compound
2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-{5-[(5-nitropyridin-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Catalog ID
STL364499
SMILES O=C(CN1C(=O)COc2c1cc(Cl)cc2)Nc1nnc(s1)Sc1ccc(cn1)[N+](=O)[O-]
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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 C17H11ClN6O5S2 MW 478.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClN6O5S2/c18-9-1-3-12-11(5-9)23(15(26)8-29-12)7-13(25)20-16-21-22-17(31-16)30-14-4-2-10(6-19-14)24(27)28/h1-6H,7-8H2,(H,20,21,25)InChIKey
LITPDTXXGPAUHH-UHFFFAOYSA-NSynonyms
2(6chloro3oxo14benzoxazin4yl)N(5(5nitropyridin2yl)sulfanyl134thiadiazol2yl)acetamide
2(6chloro3oxo23dihydro4H14benzoxazin4yl)N(5((5nitropyridin2yl)sulfanyl)134thiadiazol2yl)acetamide
C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)NC3=NN=C(S3)SC4=NC=C(C=C4)(N+)(=O)(O)
InChI=1SC17H11ClN6O5S2c189131211(59)23(15(26)82912)713(25)2016212217(3116)30144210(61914)24(27)28h16H78H2(H202125)
MFCD08087435
O=C(CN1C(=O)COc2c1cc(Cl)cc2)Nc1nnc(s1)Sc1ccc(cn1)(N+)(=O)(O)
ZINC000009273751
ZINC09273751
ZINC9273751
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