Vitas-M small molecule compound

[5-({2-[(3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1H-tetrazol-1-yl]acetic acid

Catalog ID
STK768368
SMILES O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nnnn1CC(=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 C11H10N6O5S MW 338.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10N6O5S/c18-9(12-7-2-1-3-8(4-7)17(21)22)6-23-11-13-14-15-16(11)5-10(19)20/h1-4H,5-6H2,(H,12,18)(H,19,20)
InChIKey
MSAOEBBRWVUSTE-UHFFFAOYSA-N
Synonyms
433250-70-5
(5((2((3nitrophenyl)amino)2oxoethyl)sulfanyl)1Htetrazol1yl)aceticacid
2(5((2((3nitrophenyl)amino)2oxoethyl)thio)1Htetrazol1yl)aceticacid
2(5(2(3NITROANILINO)2OXOETHYL)SULFANYLTETRAZOL1YL)ACETICACID
433250705
C1=CC(=CC(=C1)(N+)(=O)(O))NC(=O)CSC2=NN=NN2CC(=O)O
InChI=1SC11H10N6O5Sc189(1272138(47)17(21)22)6231113141516(11)510(19)20h14H56H2(H1218)(H1920)
MFCD03133468
O=C(Nc1cccc(c1)(N+)(=O)(O))CSc1nnnn1CC(=O)O
ZINC000002250902
ZINC2250902

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Available files

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