Vitas-M small molecule compound
5-(2,3-dihydro-1-benzofuran-5-yl)-N-[(2E)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]-1H-pyrazole-3-carboxamide
Catalog ID
STL411180
SMILES COCc1n[nH]/c(=N\C(=O)c2n[nH]c(c2)c2ccc3c(c2)CCO3)/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 C16H15N5O3S MW 357.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O3S/c1-23-8-14-20-21-16(25-14)17-15(22)12-7-11(18-19-12)9-2-3-13-10(6-9)4-5-24-13/h2-3,6-7H,4-5,8H2,1H3,(H,18,19)(H,17,21,22)InChIKey
RRTNWUNOKINFRC-UHFFFAOYSA-NSynonyms
1491131-76-01491131760
3(23dihydro1benzofuran5yl)N(5(methoxymethyl)134thiadiazol2yl)1Hpyrazole5carboxamide
5(23dihydro1benzofuran5yl)N((2E)5(methoxymethyl)134thiadiazol2(3H)ylidene)1Hpyrazole3carboxamide
COCC1=NN=C(S1)NC(=O)C2=CC(=NN2)C3=CC4=C(C=C3)OCC4
COCc1n(nH)c(=NC(=O)c2n(nH)c(c2)c2ccc3c(c2)CCO3)s1
InChI=1SC16H15N5O3Sc123814202116(2514)1715(22)12711(181912)9231310(69)452413h2367H458H21H3(H1819)(H172122)
MFCD30706582
ZINC000096118183
ZINC96118183
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