Vitas-M small molecule compound
N-({5-[(4-bromobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}methyl)-3,4-dimethoxybenzamide
Catalog ID
STK230203
SMILES C=CCn1c(CNC(=O)c2ccc(c(c2)OC)OC)nnc1SCc1ccc(cc1)Br
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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 C22H23BrN4O3S MW 503.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN4O3S/c1-4-11-27-20(25-26-22(27)31-14-15-5-8-17(23)9-6-15)13-24-21(28)16-7-10-18(29-2)19(12-16)30-3/h4-10,12H,1,11,13-14H2,2-3H3,(H,24,28)InChIKey
XDPFOUBJWUNPQR-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)C(=O)NCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br)OC
InChI=1SC22H23BrN4O3Sc14112720(252622(27)3114155817(23)9615)132421(28)1671018(292)19(1216)303h41012H1111314H223H3(H2428)
MFCD05992308
N((5((4BROMOBENZYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)METHYL)34DIMETHOXYBENZAMIDE
N((5((4BROMOPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOL3YL)METHYL)34DIMETHOXYBENZAMIDE
N(4ALLYL5(4BROMOBENZYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)34DIMETHOXYBENZAMIDE
ZINC000009261365
ZINC09261365
ZINC9261365
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