Vitas-M small molecule compound
ethyl 2-{[(3-chloro-4-nitro-1-benzothiophen-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL119667
SMILES CCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1sc2c(c1Cl)c(ccc2)[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 C20H17ClN2O5S2 MW 464.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O5S2/c1-2-28-20(25)14-10-6-3-4-8-12(10)30-19(14)22-18(24)17-16(21)15-11(23(26)27)7-5-9-13(15)29-17/h5,7,9H,2-4,6,8H2,1H3,(H,22,24)InChIKey
BPTJJSOAXLVPLY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C4=C(C=CC=C4S3)(N+)(=O)(O))Cl
CCOC(=O)c1c(sc2c1CCCC2)NC(=O)c1sc2c(c1Cl)c(ccc2)(N+)(=O)(O)
ethyl2(((3chloro4nitro1benzothiophen2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((3chloro4nitro1benzothiophene2carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H17ClN2O5S2c122820(25)1410634812(10)3019(14)2218(24)1716(21)1511(23(26)27)75913(15)2917h579H2468H21H3(H2224)
MFCD06758837
ZINC000016683092
ZINC16683092
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