Vitas-M small molecule compound
(5E)-5-({5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
Catalog ID
STK460155
SMILES SC1=NC(=O)/C(=C\c2ccc(o2)Cn2cc(c(n2)[N+](=O)[O-])Cl)/S1
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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 C12H7ClN4O4S2 MW 370.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H7ClN4O4S2/c13-8-5-16(15-10(8)17(19)20)4-7-2-1-6(21-7)3-9-11(18)14-12(22)23-9/h1-3,5H,4H2,(H,14,18,22)/b9-3+InChIKey
MQZDTZFRJWNSHX-YCRREMRBSA-NSynonyms
(5E)5((5((4chloro3nitro1Hpyrazol1yl)methyl)furan2yl)methylidene)2sulfanyl13thiazol4(5H)one
(5E)5((5((4chloro3nitropyrazol1yl)methyl)furan2yl)methylidene)2sulfanylidene13thiazolidin4one
5((5((4CHLORO3NITROPYRAZOLYL)METHYL)(2FURYL))METHYLENE)2SULFANYL13THIAZOLIN4ONE
C1=C(OC(=C1)C=C2C(=O)NC(=S)S2)CN3C=C(C(=N3)(N+)(=O)(O))Cl
InChI=1SC12H7ClN4O4S2c138516(1510(8)17(19)20)47216(217)3911(18)1412(22)239h135H4H2(H141822)b93+
MFCD04281897
SC1=NC(=O)C(=Cc2ccc(o2)Cn2cc(c(n2)(N+)(=O)(O))Cl)S1
ZINC000017076014
ZINC17076014
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