Vitas-M small molecule compound
3-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-3-(2-chloro-5-nitrophenyl)propanoic acid
Catalog ID
STK683368
SMILES OC(=O)CC(c1cc(ccc1Cl)[N+](=O)[O-])NC(=O)c1sc2c(c1Cl)cccc2
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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 C18H12Cl2N2O5S MW 439.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12Cl2N2O5S/c19-12-6-5-9(22(26)27)7-11(12)13(8-15(23)24)21-18(25)17-16(20)10-3-1-2-4-14(10)28-17/h1-7,13H,8H2,(H,21,25)(H,23,24)InChIKey
LIXIXQZUYCNHSX-UHFFFAOYSA-NSynonyms
3(((3chloro1benzothiophen2yl)carbonyl)amino)3(2chloro5nitrophenyl)propanoicacid
3((3CHLORO1BENZOTHIOPHENE2CARBONYL)AMINO)3(2CHLORO5NITROPHENYL)PROPANOICACID
C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(CC(=O)O)C3=C(C=CC(=C3)(N+)(=O)(O))Cl)Cl
InChI=1SC18H12Cl2N2O5Sc1912659(22(26)27)711(12)13(815(23)24)2118(25)1716(20)10312414(10)2817h1713H8H2(H2125)(H2324)
MFCD05257627
OC(=O)CC(c1cc(ccc1Cl)(N+)(=O)(O))NC(=O)c1sc2c(c1Cl)cccc2
ZINC000012360139
ZINC000012360140
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