Vitas-M small molecule compound
4-[(carboxymethyl)sulfanyl]-3-nitrobenzoic acid
Catalog ID
STK370677
SMILES OC(=O)CSc1ccc(cc1[N+](=O)[O-])C(=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 C9H7NO6S MW 257.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H7NO6S/c11-8(12)4-17-7-2-1-5(9(13)14)3-6(7)10(15)16/h1-3H,4H2,(H,11,12)(H,13,14)InChIKey
JTCYKOZBAMATGW-UHFFFAOYSA-NSynonyms
202191-24-02(4CARBOXY2NITROPHENYLTHIO)ACETICACID
202191240
4((carboxymethyl)sulfanyl)3nitrobenzoicacid
4((CARBOXYMETHYL)THIO)3NITROBENZOICACID
4(CARBOXYMETHYLSULFANYL)3NITROBENZOICACID
4(CARBOXYMETHYLTHIO)3NITROBENZOICACID
4CARBOXYMETHYLSULFANYL3NITROBENZOICACID
C1=CC(=C(C=C1C(=O)O)(N+)(=O)(O))SCC(=O)O
InChI=1SC9H7NO6Sc118(12)4177215(9(13)14)36(7)10(15)16h13H4H2(H1112)(H1314)
MFCD00183080
OC(=O)CSc1ccc(cc1(N+)(=O)(O))C(=O)O
ZINC000000058224
ZINC58224
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