Vitas-M small molecule compound
N-(2-{(2E)-2-[1-(4-tert-butylphenyl)ethylidene]hydrazinyl}-2-oxoethyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (non-preferred name)
Catalog ID
STL280562
SMILES O=C(CN(S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(cc1)F)N/N=C(/c1ccc(cc1)C(C)(C)C)\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 C28H30FN3O5S MW 539.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30FN3O5S/c1-19(20-5-7-21(8-6-20)28(2,3)4)30-31-27(33)18-32(23-11-9-22(29)10-12-23)38(34,35)24-13-14-25-26(17-24)37-16-15-36-25/h5-14,17H,15-16,18H2,1-4H3,(H,31,33)/b30-19+InChIKey
QFQFDTWGGZWRAA-NDZAJKAJSA-NSynonyms
CC(=NNC(=O)CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC28H30FN3O5Sc119(205721(8620)28(23)4)303127(33)1832(2311922(29)101223)38(3435)2413142526(1724)3716153625h51417H151618H214H3(H3133)b3019+
MFCD03977893
N((E)1(4tertbutylphenyl)ethylideneamino)2(N(23dihydro14benzodioxin6ylsulfonyl)4fluoroanilino)acetamide
N(2((2E)2(1(4tertbutylphenyl)ethylidene)hydrazinyl)2oxoethyl)N(4fluorophenyl)23dihydro14benzodioxine6sulfonamide(nonpreferredname)
O=C(CN(S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(cc1)F)NN=C(c1ccc(cc1)C(C)(C)C)C
ZINC000097971156
ZINC102927319
Check stock
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