Vitas-M small molecule compound
methyl 4-(5-{(Z)-[5-imino-7-oxo-2-(trifluoromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK002095
SMILES COC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F
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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 C19H11F3N4O4S MW 448.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H11F3N4O4S/c1-29-16(28)10-4-2-9(3-5-10)13-7-6-11(30-13)8-12-14(23)26-18(24-15(12)27)31-17(25-26)19(20,21)22/h2-8,23H,1H3/b12-8-,23-14-InChIKey
BBICDOOZFGRCDZ-PLJZRZRTSA-NSynonyms
COC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F
methyl4(5((Z)(5imino7oxo2(trifluoromethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)furan2yl)benzoate
MFCD02955458
STK002095
ZINC000008453086
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