Vitas-M small molecule compound
4-({[1-(4-carbamoylphenyl)-1H-tetrazol-5-yl]sulfanyl}methyl)benzoic acid
Catalog ID
STL071317
SMILES NC(=O)c1ccc(cc1)n1nnnc1SCc1ccc(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 C16H13N5O3S MW 355.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O3S/c17-14(22)11-5-7-13(8-6-11)21-16(18-19-20-21)25-9-10-1-3-12(4-2-10)15(23)24/h1-8H,9H2,(H2,17,22)(H,23,24)InChIKey
QBPFMFRNLVTZFL-UHFFFAOYSA-NSynonyms
634178-12-44(((1(4carbamoylphenyl)1Htetrazol5yl)sulfanyl)methyl)benzoicacid
4(((1(4carbamoylphenyl)1Htetrazol5yl)thio)methyl)benzoicacid
4((1(4CARBAMOYLPHENYL)TETRAZOL5YL)SULFANYLMETHYL)BENZOICACID
634178124
C1=CC(=CC=C1CSC2=NN=NN2C3=CC=C(C=C3)C(=O)N)C(=O)O
InChI=1SC16H13N5O3Sc1714(22)115713(8611)2116(18192021)259101312(4210)15(23)24h18H9H2(H21722)(H2324)
MFCD03819950
ZINC000001260676
ZINC1260676
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