Vitas-M small molecule compound

3-nitro-5-[({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid

Catalog ID
STK328807
SMILES O=C(Nc1cc(cc(c1)C(=O)O)[N+](=O)[O-])CSc1nnc([nH]1)c1ccncc1

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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 C16H12N6O5S MW 400.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N6O5S/c23-13(18-11-5-10(15(24)25)6-12(7-11)22(26)27)8-28-16-19-14(20-21-16)9-1-3-17-4-2-9/h1-7H,8H2,(H,18,23)(H,24,25)(H,19,20,21)
InChIKey
SJKAOFVDHUYMPB-UHFFFAOYSA-N
Synonyms
728035-04-9
3nitro5((((5(pyridin4yl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3NITRO5((2((5PYRIDIN4YL1H124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOICACID
728035049
C1=CN=CC=C1C2=NC(=NN2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)(N+)(=O)(O)
InChI=1SC16H12N6O5Sc2313(1811510(15(24)25)612(711)22(26)27)828161914(202116)91317429h17H8H2(H1823)(H2425)(H192021)
MFCD06017154
O=C(Nc1cc(cc(c1)C(=O)O)(N+)(=O)(O))CSc1nnc((nH)1)c1ccncc1
ZINC000014944645
ZINC14944645

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Available files

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