Vitas-M small molecule compound
(5E)-1-methyl-5-{[5-(phenylsulfanyl)furan-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187353
SMILES CN1C(=S)NC(=O)/C(=C\c2ccc(o2)Sc2ccccc2)/C1=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 C16H12N2O3S2 MW 344.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O3S2/c1-18-15(20)12(14(19)17-16(18)22)9-10-7-8-13(21-10)23-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19,22)/b12-9+InChIKey
IPQUULZPGLAGKV-FMIVXFBMSA-NSynonyms
(5E)1METHYL5((5(PHENYLSULFANYL)FURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1METHYL5((5PHENYLSULFANYLFURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
CN1C(=O)C(=CC2=CC=C(O2)SC3=CC=CC=C3)C(=O)NC1=S
CN1C(=S)NC(=O)C(=Cc2ccc(o2)Sc2ccccc2)C1=O
InChI=1SC16H12N2O3S2c11815(20)12(14(19)1716(18)22)9107813(2110)23115324611h29H1H3(H171922)b129+
MFCD03078980
ZINC000004723778
ZINC04723778
ZINC4723778
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