Vitas-M small molecule compound
2-chloro-5-[5-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid
Catalog ID
STL336194
SMILES CCc1ccc(cc1)NC(=O)CSc1nnnn1c1ccc(c(c1)C(=O)O)Cl
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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 C18H16ClN5O3S MW 417.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O3S/c1-2-11-3-5-12(6-4-11)20-16(25)10-28-18-21-22-23-24(18)13-7-8-15(19)14(9-13)17(26)27/h3-9H,2,10H2,1H3,(H,20,25)(H,26,27)InChIKey
MGVSRUDXIUBKMA-UHFFFAOYSA-NSynonyms
671773-34-52chloro5(5((2((4ethylphenyl)amino)2oxoethyl)sulfanyl)1Htetrazol1yl)benzoicacid
2chloro5(5((2((4ethylphenyl)amino)2oxoethyl)thio)1Htetrazol1yl)benzoicacid
2CHLORO5(5(2(4ETHYLANILINO)2OXOETHYL)SULFANYLTETRAZOL1YL)BENZOICACID
671773345
CCC1=CC=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC(=C(C=C3)Cl)C(=O)O
InChI=1SC18H16ClN5O3Sc12113512(6411)2016(25)10281821222324(18)137815(19)14(913)17(26)27h39H210H21H3(H2025)(H2627)
MFCD03196867
ZINC000008836674
ZINC8836674
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