Vitas-M small molecule compound
2-[5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]-3H-benzo[f]chromen-3-one
Catalog ID
STK065845
SMILES O=c1oc2ccc3c(c2cc1c1nnc([nH]1)c1ccc(cc1)[N+](=O)[O-])cccc3
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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 C21H12N4O4 MW 384.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12N4O4/c26-21-17(11-16-15-4-2-1-3-12(15)7-10-18(16)29-21)20-22-19(23-24-20)13-5-8-14(9-6-13)25(27)28/h1-11H,(H,22,23,24)InChIKey
IRLJKCRAKCEEFC-UHFFFAOYSA-NSynonyms
313519-38-92(3(4NITROPHENYL)1H124TRIAZOL5YL)BENZO(F)CHROMEN3ONE
2(5(4NITROPHENYL)4H(124)TRIAZOL3YL)BENZO(F)CHROMEN3ONE
2(5(4NITROPHENYL)4H124TRIAZOL3YL)3HBENZO(F)CHROMEN3ONE
313519389
C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NC(=NN4)C5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC21H12N4O4c262117(111615421312(15)71018(16)2921)202219(232420)135814(9613)25(27)28h111H(H222324)
MFCD00990371
O=c1oc2ccc3c(c2cc1c1nnc((nH)1)c1ccc(cc1)(N+)(=O)(O))cccc3
STK065845
ZINC000018116924
ZINC18116924
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