Vitas-M small molecule compound
4-{[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine
Catalog ID
STK930032
SMILES Cc1c(C)[nH]nc1c1ccc(s1)S(=O)(=O)N1CCOc2c1cccc2
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C17H17N3O3S2 MW 375.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O3S2/c1-11-12(2)18-19-17(11)15-7-8-16(24-15)25(21,22)20-9-10-23-14-6-4-3-5-13(14)20/h3-8H,9-10H2,1-2H3,(H,18,19)InChIKey
NHQXKHRGWFRQAT-UHFFFAOYSA-NSynonyms
1273555-21-71273555217
4((5(34dimethyl1Hpyrazol5yl)thiophen2yl)sulfonyl)34dihydro2Hbenzo(b)(14)oxazine
4((5(45dimethyl1Hpyrazol3yl)thiophen2yl)sulfonyl)34dihydro2H14benzoxazine
4(5(45dimethyl1Hpyrazol3yl)thiophen2yl)sulfonyl23dihydro14benzoxazine
CC1=C(NN=C1C2=CC=C(S2)S(=O)(=O)N3CCOC4=CC=CC=C43)C
Cc1c(C)(nH)nc1c1ccc(s1)S(=O)(=O)N1CCOc2c1cccc2
Cc1n(nH)c(c1C)c1ccc(s1)S(=O)(=O)N1CCOc2c1cccc2
InChI=1SC17H17N3O3S2c11112(2)181917(11)157816(2415)25(2122)209102314643513(14)20h38H910H212H3(H1819)
MFCD18176528
ZINC000040266418
ZINC40266418
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