Vitas-M small molecule compound
3-isothiocyanato-1-(4-methylbenzyl)-1H-pyrazole
Catalog ID
STK349434
SMILES S=C=Nc1ccn(n1)Cc1ccc(cc1)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 C12H11N3S MW 229.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3S/c1-10-2-4-11(5-3-10)8-15-7-6-12(14-15)13-9-16/h2-7H,8H2,1H3InChIKey
ZCGCQUHSFNMHBA-UHFFFAOYSA-NSynonyms
1004194-38-01((4METHYLPHENYL)METHYL)PYRAZOL3ISOTHIOCYANATE
1004194380
3isothiocyanato1((4methylphenyl)methyl)pyrazole
3ISOTHIOCYANATO1(4METHYLBENZYL)1HPYRAZOLE
CC1=CC=C(C=C1)CN2C=CC(=N2)N=C=S
InChI=1SC12H11N3Sc1102411(5310)8157612(1415)13916h27H8H21H3
MFCD04968673
ZINC000002536519
ZINC02536519
ZINC2536519
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