Vitas-M small molecule compound
4-isothiocyanato-1-(4-methylbenzyl)-1H-pyrazole
Catalog ID
STK312347
SMILES S=C=Nc1cnn(c1)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)7-15-8-12(6-14-15)13-9-16/h2-6,8H,7H2,1H3InChIKey
VKGZTVBBKKIOCS-UHFFFAOYSA-NSynonyms
1004193-45-61((4METHYLPHENYL)METHYL)PYRAZOL4ISOTHIOCYANATE
1004193456
4isothiocyanato1((4methylphenyl)methyl)pyrazole
4isothiocyanato1(4methylbenzyl)1Hpyrazole
CC1=CC=C(C=C1)CN2C=C(C=N2)N=C=S
InChI=1SC12H11N3Sc1102411(5310)715812(61415)13916h268H7H21H3
MFCD04968737
ZINC000002536583
ZINC02536583
ZINC2536583
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