Vitas-M small molecule compound
(5E)-1-(4-fluorobenzyl)-4,6-dioxo-5-[(piperidinium-1-ylamino)methylidene]-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL049516
SMILES Fc1ccc(cc1)CN1C(=NC(=O)/C(=C\N[NH+]2CCCCC2)/C1=O)[S-]
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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 C17H19FN4O2S MW 362.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19FN4O2S/c18-13-6-4-12(5-7-13)11-22-16(24)14(15(23)20-17(22)25)10-19-21-8-2-1-3-9-21/h4-7,10,19H,1-3,8-9,11H2,(H,20,23,25)/b14-10+InChIKey
LMTIXRWWHASMIC-GXDHUFHOSA-NSynonyms
(5E)1((4FLUOROPHENYL)METHYL)5((PIPERIDIN1YLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4fluorobenzyl)46dioxo5((piperidinium1ylamino)methylidene)1456tetrahydropyrimidine2thiolate
1(4FLUOROBENZYL)5(1(PIPERIDIN1YLAMINO)METH(E)YLIDENE)2THIOXODIHYDROPYRIMIDINE46DIONE
C1CCN(CC1)NC=C2C(=O)NC(=S)N(C2=O)CC3=CC=C(C=C3)F
Fc1ccc(cc1)CN1C(=NC(=O)C(=CN(NH+)2CCCCC2)C1=O)(S)
InChI=1SC17H19FN4O2Sc18136412(5713)112216(24)14(15(23)2017(22)25)1019218213921h471019H138911H2(H202325)b1410+
MFCD18249273
ZINC000009361256
ZINC9361256
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