Vitas-M small molecule compound
4-({2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrophenyl}sulfonyl)morpholine
Catalog ID
STK111930
SMILES Cn1c(nnc1Cc1ccccc1)Sc1ccc(cc1S(=O)(=O)N1CCOCC1)[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 C20H21N5O5S2 MW 475.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O5S2/c1-23-19(13-15-5-3-2-4-6-15)21-22-20(23)31-17-8-7-16(25(26)27)14-18(17)32(28,29)24-9-11-30-12-10-24/h2-8,14H,9-13H2,1H3InChIKey
WZIDMXIHAZASOC-UHFFFAOYSA-NSynonyms
4((2((5BENZYL4METHYL4H124TRIAZOL3YL)SULFANYL)5NITROPHENYL)SULFONYL)MORPHOLINE
4(2((5BENZYL4METHYL124TRIAZOL3YL)SULFANYL)5NITROPHENYL)SULFONYLMORPHOLINE
CN1C(=NN=C1SC2=C(C=C(C=C2)(N+)(=O)(O))S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4
Cn1c(nnc1Cc1ccccc1)Sc1ccc(cc1S(=O)(=O)N1CCOCC1)(N+)(=O)(O)
InChI=1SC20H21N5O5S2c12319(13155324615)212220(23)31178716(25(26)27)1418(17)32(2829)2491130121024h2814H913H21H3
MFCD02625625
ZINC000012427835
ZINC12427835
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