Vitas-M small molecule compound

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

Catalog ID
STK328660
SMILES O=C(Nc1cc(cc(c1)C(=O)O)[N+](=O)[O-])CSc1[nH]cnn1

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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 C11H9N5O5S MW 323.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H9N5O5S/c17-9(4-22-11-12-5-13-15-11)14-7-1-6(10(18)19)2-8(3-7)16(20)21/h1-3,5H,4H2,(H,14,17)(H,18,19)(H,12,13,15)
InChIKey
DLYQWLVDSODLQV-UHFFFAOYSA-N
Synonyms
889947-96-0
3nitro5(((4H124triazol3ylsulfanyl)acetyl)amino)benzoicacid
3NITRO5((2(1H124TRIAZOL5YLSULFANYL)ACETYL)AMINO)BENZOICACID
889947960
C1=C(C=C(C=C1NC(=O)CSC2=NC=NN2)(N+)(=O)(O))C(=O)O
InChI=1SC11H9N5O5Sc179(42211125131511)14716(10(18)19)28(37)16(20)21h135H4H2(H1417)(H1819)(H121315)
MFCD06617278
O=C(Nc1cc(cc(c1)C(=O)O)(N+)(=O)(O))CSc1(nH)cnn1
ZINC000018191133
ZINC18191133

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Available files

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