Vitas-M small molecule compound
5-amino-3-[(Z)-2-(6-chloro-1,3-benzodioxol-5-yl)-1-cyanoethenyl]-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Catalog ID
STK757552
SMILES OCCn1nc(c(c1N)C#N)/C(=C/c1cc2OCOc2cc1Cl)/C#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 C16H12ClN5O3 MW 357.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN5O3/c17-12-5-14-13(24-8-25-14)4-9(12)3-10(6-18)15-11(7-19)16(20)22(21-15)1-2-23/h3-5,23H,1-2,8,20H2/b10-3+InChIKey
VBWVEUWEXZCCDU-XCVCLJGOSA-NSynonyms
5amino3((Z)2(6chloro13benzodioxol5yl)1cyanoethenyl)1(2hydroxyethyl)1Hpyrazole4carbonitrile
5AMINO3((Z)2(6CHLORO13BENZODIOXOL5YL)1CYANOETHENYL)1(2HYDROXYETHYL)PYRAZOLE4CARBONITRILE
C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C3=NN(C(=C3C#N)N)CCO)Cl
InChI=1SC16H12ClN5O3c171251413(2482514)49(12)310(618)1511(719)16(20)22(2115)1223h3523H12820H2b103+
MFCD01160795
OCCn1nc(c(c1N)C#N)C(=Cc1cc2OCOc2cc1Cl)C#N
ZINC000004482171
ZINC04482171
ZINC4482171
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