Vitas-M small molecule compound
(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK762713
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1cc2OCOc2cc1[N+](=O)[O-])c1ccccc1
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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 C18H11N3O6S MW 397.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11N3O6S/c22-16-12(17(23)20(18(28)19-16)11-4-2-1-3-5-11)6-10-7-14-15(27-9-26-14)8-13(10)21(24)25/h1-8H,9H2,(H,19,22,28)/b12-6-InChIKey
SBWULAPSFQRDMP-SDQBBNPISA-NSynonyms
(5Z)5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5((6nitro13benzodioxol5yl)methylidene)1phenyl2thioxodihydropyrimidine46(1H5H)dione
5((6NITRO(2HBENZO(34D)13DIOXOLEN5YL))METHYLENE)1PHENYL2THIOXO13DIHYDROPYRIMIDINE46DIONE
C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC18H11N3O6Sc221612(17(23)20(18(28)1916)114213511)61071415(2792614)813(10)21(24)25h18H9H2(H192228)b126
MFCD01909292
O=C1NC(=S)N(C(=O)C1=Cc1cc2OCOc2cc1(N+)(=O)(O))c1ccccc1
ZINC000012376656
ZINC12376656
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