Vitas-M small molecule compound
4-chloro-3-nitro-N-[5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
Catalog ID
STK516322
SMILES C=CCSc1nnc(s1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C12H9ClN4O3S2 MW 356.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9ClN4O3S2/c1-2-5-21-12-16-15-11(22-12)14-10(18)7-3-4-8(13)9(6-7)17(19)20/h2-4,6H,1,5H2,(H,14,15,18)InChIKey
NMTWBECFGIMHLC-UHFFFAOYSA-NSynonyms
4chloro3nitroN(5(prop2en1ylsulfanyl)134thiadiazol2yl)benzamide
4CHLORO3NITRON(5PROP2ENYLSULFANYL134THIADIAZOL2YL)BENZAMIDE
C=CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)(N+)(=O)(O)
C=CCSc1nnc(s1)NC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC12H9ClN4O3S2c1252112161511(2212)1410(18)7348(13)9(67)17(19)20h246H15H2(H141518)
MFCD06645621
ZINC000007594338
ZINC07594338
ZINC7594338
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