Vitas-M small molecule compound
5-amino-3-[(E)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
Catalog ID
STL431830
SMILES N#C/C(=C/c1ccc2c(c1)OCO2)/c1n[nH]c(c1C#N)N
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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 C14H9N5O2 MW 279.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H9N5O2/c15-5-9(13-10(6-16)14(17)19-18-13)3-8-1-2-11-12(4-8)21-7-20-11/h1-4H,7H2,(H3,17,18,19)/b9-3-InChIKey
ZEYLBMZRBYXANQ-OQFOIZHKSA-NSynonyms
3amino5((E)2(13benzodioxol5yl)1cyanoethenyl)1Hpyrazole4carbonitrile
5amino3((E)2(13benzodioxol5yl)1cyanoethenyl)1Hpyrazole4carbonitrile
C1OC2=C(O1)C=C(C=C2)C=C(C#N)C3=C(C(=NN3)N)C#N
InChI=1SC14H9N5O2c1559(1310(616)14(17)191813)38121112(48)2172011h14H7H2(H3171819)b93
MFCD01445863
N#CC(=Cc1ccc2c(c1)OCO2)c1n(nH)c(c1C#N)N
ZINC000005387528
ZINC05387528
ZINC5387528
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