Vitas-M small molecule compound

5-(1,3-benzodioxol-5-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK742506
SMILES S=C1NC(=O)C(=Cc2ccc3c(c2)OCO3)C(=O)N1

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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 C12H8N2O4S MW 276.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8N2O4S/c15-10-7(11(16)14-12(19)13-10)3-6-1-2-8-9(4-6)18-5-17-8/h1-4H,5H2,(H2,13,14,15,16,19)
InChIKey
QDSDZOMKACYBSB-UHFFFAOYSA-N
Synonyms
74051-76-6
2(5H)PYRIMIDINETHIONE46DIHYDROXYSPIPERONYLIDENE
2(5H)PYRIMIDINETHIONE6DIHYDROXYSPIPERONYLIDENE
45H)PYRIMIDINEDIONE5(13BENZODIOXOL5YLMETHYLENE)DIHYDRO2THIOXO
46(1H5H)PYRIMIDINEDIONE5(13BENZODIOXOL5YLMETHYLENE)DIHYDRO2THIOXO
46(1H5H)PYRIMIDINEDIONE5(13BENZODIOXOL5YLMETHYLENE)DIHYDRO2THIOXO(9CI)
46DIHYDROXY5PIPERONYLIDENE2(5H)PYRIMIDINETHIONE
5(13BENZODIOXOL5YLMETHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(13benzodioxol5ylmethylidene)2thioxodihydropyrimidine46(1H5H)dione
5(13BENZODIOXOL5YLMETHYLIDENE)2THIOXOHEXAHYDROPYRIMIDINE46DIONE
5(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
5(BENZO(D)(13)DIOXOL5YLMETHYLENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5BENZO(13)DIOXOL5YLMETHYLENE2THIOXODIHYDROPYRIMIDINE46DIONE
5PIPERONYLIDENE2THIOBARBITURICACID
74051766
BARBITURICACID5PIPERONYLIDENE2THIO
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)NC(=S)NC3=O
InChI=1SC12H8N2O4Sc15107(11(16)1412(19)1310)361289(46)185178h14H5H2(H21314151619)
MFCD00022966
ZINC000017043483
ZINC17043483

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Available files

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