Vitas-M small molecule compound
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone
Catalog ID
STK205338
SMILES O=C(c1ccc2c(c1)OCCO2)CSc1nnc(o1)c1cccc(c1)[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 C18H13N3O6S MW 399.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O6S/c22-14(11-4-5-15-16(9-11)26-7-6-25-15)10-28-18-20-19-17(27-18)12-2-1-3-13(8-12)21(23)24/h1-5,8-9H,6-7,10H2InChIKey
PYHBCJQOEXGHMH-UHFFFAOYSA-NSynonyms
1(23DIHYDRO14BENZODIOXIN6YL)2((5(3NITROPHENYL)134OXADIAZOL2YL)SULFANYL)ETHANONE
C1COC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=C(O3)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC18H13N3O6Sc2214(11451516(911)26762515)102818201917(2718)1221313(812)21(23)24h1589H6710H2
MFCD04215497
O=C(c1ccc2c(c1)OCCO2)CSc1nnc(o1)c1cccc(c1)(N+)(=O)(O)
ZINC000002843384
ZINC02843384
ZINC2843384
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