Vitas-M small molecule compound
2-phenyl-5-[({[1-(2,4,6-trimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)amino]-2H-1,2,3-triazole-4-carboxamide
Catalog ID
STK766902
SMILES O=C(Nc1nn(nc1C(=O)N)c1ccccc1)CSc1nnnn1c1c(C)cc(cc1C)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 C21H21N9O2S MW 463.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N9O2S/c1-12-9-13(2)18(14(3)10-12)29-21(24-27-28-29)33-11-16(31)23-20-17(19(22)32)25-30(26-20)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H2,22,32)(H,23,26,31)InChIKey
VPRNCEYMCDWBBS-UHFFFAOYSA-NSynonyms
2phenyl5((((1(246trimethylphenyl)1Htetrazol5yl)sulfanyl)acetyl)amino)2H123triazole4carboxamide
2PHENYL5((2(1(246TRIMETHYLPHENYL)TETRAZOL5YL)SULFANYLACETYL)AMINO)TRIAZOLE4CARBOXAMIDE
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=NN(N=C3C(=O)N)C4=CC=CC=C4)C
InChI=1SC21H21N9O2Sc112913(2)18(14(3)1012)2921(24272829)331116(31)232017(19(22)32)2530(2620)157546815h410H11H213H3(H22232)(H232631)
MFCD03018063
ZINC000002191989
ZINC02191989
ZINC2191989
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