Vitas-M small molecule compound
methyl 4-{5-[(3-nitrobenzyl)sulfanyl]-1H-tetrazol-1-yl}benzoate
Catalog ID
STK998684
SMILES COC(=O)c1ccc(cc1)n1nnnc1SCc1cccc(c1)[N+](=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 C16H13N5O4S MW 371.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O4S/c1-25-15(22)12-5-7-13(8-6-12)20-16(17-18-19-20)26-10-11-3-2-4-14(9-11)21(23)24/h2-9H,10H2,1H3InChIKey
WKQFLMOAGWVXOG-UHFFFAOYSA-NSynonyms
346464-93-5346464935
COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=CC=C3)(N+)(=O)(O)
COC(=O)c1ccc(cc1)n1nnnc1SCc1cccc(c1)(N+)(=O)(O)
InChI=1SC16H13N5O4Sc12515(22)125713(8612)2016(17181920)26101132414(911)21(23)24h29H10H21H3
methyl4(5((3nitrobenzyl)sulfanyl)1Htetrazol1yl)benzoate
methyl4(5((3nitrobenzyl)thio)1Htetrazol1yl)benzoate
METHYL4(5((3NITROPHENYL)METHYLSULFANYL)TETRAZOL1YL)BENZOATE
MFCD01580930
ZINC000001155340
ZINC01155340
ZINC1155340
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