Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-sulfanylbenzoate
Catalog ID
STK728147
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])C)COC(=O)c1ccccc1S
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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 C16H13NO5S MW 331.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO5S/c1-10-6-7-11(8-13(10)17(20)21)14(18)9-22-16(19)12-4-2-3-5-15(12)23/h2-8,23H,9H2,1H3InChIKey
LRQHGRPSJDFMHF-UHFFFAOYSA-NSynonyms
356079-36-2(2(4METHYL3NITROPHENYL)2OXOETHYL)2SULFANYLBENZOATE
2(4methyl3nitrophenyl)2oxoethyl2mercaptobenzoate
2(4methyl3nitrophenyl)2oxoethyl2sulfanylbenzoate
356079362
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2S)(N+)(=O)(O)
InChI=1SC16H13NO5Sc1106711(813(10)17(20)21)14(18)92216(19)12423515(12)23h2823H9H21H3
MFCD02376006
O=C(c1ccc(c(c1)(N+)(=O)(O))C)COC(=O)c1ccccc1S
ZINC000000509632
ZINC509632
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