Vitas-M small molecule compound
6-nitro-3-{5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl}-2H-chromen-2-one
Catalog ID
STK030856
SMILES O=c1oc2ccc(cc2cc1c1nnc(s1)Nc1ccc(cc1)Oc1ccccc1)[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 C23H14N4O5S MW 458.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14N4O5S/c28-22-19(13-14-12-16(27(29)30)8-11-20(14)32-22)21-25-26-23(33-21)24-15-6-9-18(10-7-15)31-17-4-2-1-3-5-17/h1-13H,(H,24,26)InChIKey
UWXSPNVIKPPKHT-UHFFFAOYSA-NSynonyms
6NITRO3(5((4PHENOXYPHENYL)AMINO)134THIADIAZOL2YL)2HCHROMEN2ONE
6NITRO3(5(4PHENOXYANILINO)134THIADIAZOL2YL)CHROMEN2ONE
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)C4=CC5=C(C=CC(=C5)(N+)(=O)(O))OC4=O
InChI=1SC23H14N4O5Sc282219(13141216(27(29)30)81120(14)3222)21252623(3321)24156918(10715)31174213517h113H(H2426)
MFCD02088373
O=c1oc2ccc(cc2cc1c1nnc(s1)Nc1ccc(cc1)Oc1ccccc1)(N+)(=O)(O)
STK030856
ZINC000002956086
ZINC02956086
ZINC2956086
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