Vitas-M small molecule compound

2-chloro-5-[5-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]benzoic acid

Catalog ID
STK663877
SMILES O=C(Nc1ccc(c(c1)C)C)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/c1-10-3-4-12(7-11(10)2)20-16(25)9-28-18-21-22-23-24(18)13-5-6-15(19)14(8-13)17(26)27/h3-8H,9H2,1-2H3,(H,20,25)(H,26,27)
InChIKey
SUJCASRVBWTROS-UHFFFAOYSA-N
Synonyms

2CHLORO5(5((2((34DIMETHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)1HTETRAZOL1YL)BENZOICACID
2CHLORO5(5(2(34DIMETHYLANILINO)2OXOETHYL)SULFANYLTETRAZOL1YL)BENZOICACID
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC(=C(C=C3)Cl)C(=O)O)C
InChI=1SC18H16ClN5O3Sc1103412(711(10)2)2016(25)9281821222324(18)135615(19)14(813)17(26)27h38H9H212H3(H2025)(H2627)
MFCD04061619
ZINC000015307163
ZINC15307163

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Available files

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