Vitas-M small molecule compound
methyl 2-chloro-5-{[N-(3-nitrophenyl)-N-(phenylsulfonyl)glycyl]amino}benzoate
Catalog ID
STK917174
SMILES COC(=O)c1cc(ccc1Cl)NC(=O)CN(S(=O)(=O)c1ccccc1)c1cccc(c1)[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 C22H18ClN3O7S MW 503.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O7S/c1-33-22(28)19-12-15(10-11-20(19)23)24-21(27)14-25(16-6-5-7-17(13-16)26(29)30)34(31,32)18-8-3-2-4-9-18/h2-13H,14H2,1H3,(H,24,27)InChIKey
XTISHFYLTUGRNZ-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C=CC(=C1)NC(=O)CN(C2=CC(=CC=C2)(N+)(=O)(O))S(=O)(=O)C3=CC=CC=C3)Cl
COC(=O)c1cc(ccc1Cl)NC(=O)CN(S(=O)(=O)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H18ClN3O7Sc13322(28)191215(101120(19)23)2421(27)1425(1665717(1316)26(29)30)34(3132)188324918h213H14H21H3(H2427)
methyl2chloro5((N(3nitrophenyl)N(phenylsulfonyl)glycyl)amino)benzoate
METHYL5((2(N(BENZENESULFONYL)3NITROANILINO)ACETYL)AMINO)2CHLOROBENZOATE
MFCD04374300
ZINC000001121179
ZINC01121179
ZINC1121179
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