Vitas-M small molecule compound
(3Z)-7-nitro-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Catalog ID
STL333617
SMILES [O-][N+](=O)c1ccc2c(c1)oc(=O)/c(=C/C(=O)c1cccs1)/[nH]2
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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 C14H8N2O5S MW 316.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H8N2O5S/c17-11(13-2-1-5-22-13)7-10-14(18)21-12-6-8(16(19)20)3-4-9(12)15-10/h1-7,15H/b10-7-InChIKey
FIQOICBWHOUEEI-YFHOEESVSA-NSynonyms
(3Z)7nitro3(2oxo2(thiophen2yl)ethylidene)34dihydro2H14benzoxazin2one
(3Z)7NITRO3(2OXO2THIOPHEN2YLETHYLIDENE)4H14BENZOXAZIN2ONE
(O)(N+)(=O)c1ccc2c(c1)oc(=O)c(=CC(=O)c1cccs1)(nH)2
(Z)7nitro3(2oxo2(thiophen2yl)ethylidene)34dihydro2Hbenzo(b)(14)oxazin2one
C1=CSC(=C1)C(=O)C=C2C(=O)OC3=C(N2)C=CC(=C3)(N+)(=O)(O)
InChI=1SC14H8N2O5Sc1711(132152213)71014(18)211268(16(19)20)349(12)1510h1715Hb107
MFCD03289671
ZINC000100476743
ZINC100476743
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