Vitas-M small molecule compound
methyl 2-({4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-3-nitrophenyl}carbonyl)benzoate
Catalog ID
STK783082
SMILES COC(=O)c1ccccc1C(=O)c1ccc(c(c1)[N+](=O)[O-])Sc1nc(C)cc(n1)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 C21H17N3O5S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S/c1-12-10-13(2)23-21(22-12)30-18-9-8-14(11-17(18)24(27)28)19(25)15-6-4-5-7-16(15)20(26)29-3/h4-11H,1-3H3InChIKey
GTTSYYLPNVNXMS-UHFFFAOYSA-NSynonyms
CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)OC)(N+)(=O)(O))C
COC(=O)c1ccccc1C(=O)c1ccc(c(c1)(N+)(=O)(O))Sc1nc(C)cc(n1)C
InChI=1SC21H17N3O5Sc1121013(2)2321(2212)30189814(1117(18)24(27)28)19(25)15645716(15)20(26)293h411H13H3
methyl2((4((46dimethylpyrimidin2yl)sulfanyl)3nitrophenyl)carbonyl)benzoate
METHYL2(4(46DIMETHYLPYRIMIDIN2YL)SULFANYL3NITROBENZOYL)BENZOATE
MFCD06617488
ZINC000012446264
ZINC12446264
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