Vitas-M small molecule compound
(2Z)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Catalog ID
STK132771
SMILES OC(=O)/C(=C/c1ccc(o1)c1cccc(c1Cl)Cl)/Sc1nnc([nH]1)C
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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 C16H11Cl2N3O3S MW 396.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11Cl2N3O3S/c1-8-19-16(21-20-8)25-13(15(22)23)7-9-5-6-12(24-9)10-3-2-4-11(17)14(10)18/h2-7H,1H3,(H,22,23)(H,19,20,21)/b13-7-InChIKey
CAQQFMWRTPRRBC-QPEQYQDCSA-NSynonyms
(2Z)3(5(23DICHLOROPHENYL)FURAN2YL)2((5METHYL4H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
(Z)3(5(23DICHLOROPHENYL)FURAN2YL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
CC1=NC(=NN1)SC(=CC2=CC=C(O2)C3=C(C(=CC=C3)Cl)Cl)C(=O)O
InChI=1SC16H11Cl2N3O3Sc181916(21208)2513(15(22)23)795612(249)1032411(17)14(10)18h27H1H3(H2223)(H192021)b137
MFCD04530619
OC(=O)C(=Cc1ccc(o1)c1cccc(c1Cl)Cl)Sc1nnc((nH)1)C
ZINC000004715778
ZINC4715778
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