Vitas-M small molecule compound
(3Z)-3-(3,3-dimethyl-2-oxobutylidene)-7-nitro-3,4-dihydro-2H-1,4-benzoxazin-2-one
Catalog ID
STL333746
SMILES O=C(C(C)(C)C)/C=c/1\[nH]c2ccc(cc2oc1=O)[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 C14H14N2O5 MW 290.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O5/c1-14(2,3)12(17)7-10-13(18)21-11-6-8(16(19)20)4-5-9(11)15-10/h4-7,15H,1-3H3/b10-7-InChIKey
CQLOEDZZYNLHOG-YFHOEESVSA-NSynonyms
(3Z)3(33dimethyl2oxobutylidene)7nitro34dihydro2H14benzoxazin2one
(3Z)3(33DIMETHYL2OXOBUTYLIDENE)7NITRO4H14BENZOXAZIN2ONE
(Z)3(33dimethyl2oxobutylidene)7nitro34dihydro2Hbenzo(b)(14)oxazin2one
CC(C)(C)C(=O)C=C1C(=O)OC2=C(N1)C=CC(=C2)(N+)(=O)(O)
InChI=1SC14H14N2O5c114(23)12(17)71013(18)211168(16(19)20)459(11)1510h4715H13H3b107
MFCD02646967
O=C(C(C)(C)C)C=c1(nH)c2ccc(cc2oc1=O)(N+)(=O)(O)
ZINC000100840955
ZINC100840955
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