Vitas-M small molecule compound
2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3-nitrobenzoic acid
Catalog ID
STK371009
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(cccc1C(=O)O)[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 C19H18N2O7S MW 418.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O7S/c1-2-28-19(25)15-10-6-3-4-9-13(10)29-17(15)20-16(22)14-11(18(23)24)7-5-8-12(14)21(26)27/h5,7-8H,2-4,6,9H2,1H3,(H,20,22)(H,23,24)InChIKey
HLDYFGHUBUFZCT-UHFFFAOYSA-NSynonyms
295347-57-82((3(ethoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)3nitrobenzoicacid
2((3(ethoxycarbonyl)4567tetrahydrobenzo(b)thiophen2yl)carbamoyl)3nitrobenzoicacid
2((3ethoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)3nitrobenzoicacid
295347578
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC=C3(N+)(=O)(O))C(=O)O
CCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1c(cccc1C(=O)O)(N+)(=O)(O)
InChI=1SC19H18N2O7Sc122819(25)1510634913(10)2917(15)2016(22)1411(18(23)24)75812(14)21(26)27h578H2469H21H3(H2022)(H2324)
MFCD00335240
ZINC000002208130
ZINC2208130
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