Vitas-M small molecule compound
4-[5-({2-[(2,6-dichlorophenyl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
Catalog ID
STK514328
SMILES O=C(Nc1c(Cl)cccc1Cl)CSc1nnnn1c1ccc(cc1)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 C16H11Cl2N5O3S MW 424.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11Cl2N5O3S/c17-11-2-1-3-12(18)14(11)19-13(24)8-27-16-20-21-22-23(16)10-6-4-9(5-7-10)15(25)26/h1-7H,8H2,(H,19,24)(H,25,26)InChIKey
AFODMGVOBJWQTF-UHFFFAOYSA-NSynonyms
1091532-84-11091532841
4(5((2((26dichlorophenyl)amino)2oxoethyl)sulfanyl)1Htetrazol1yl)benzoicacid
4(5((2((26dichlorophenyl)amino)2oxoethyl)thio)1Htetrazol1yl)benzoicacid
4(5(2(26dichloroanilino)2oxoethyl)sulfanyltetrazol1yl)benzoicacid
C1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)O)Cl
InChI=1SC16H11Cl2N5O3Sc171121312(18)14(11)1913(24)8271620212223(16)10649(5710)15(25)26h17H8H2(H1924)(H2526)
MFCD12214841
ZINC000019852539
ZINC19852539
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