Vitas-M small molecule compound
9-tert-butyl-2-{5-[(4-nitrophenoxy)methyl]furan-2-yl}-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK308729
SMILES [O-][N+](=O)c1ccc(cc1)OCc1ccc(o1)c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)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 C26H25N5O4S MW 503.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4S/c1-26(2,3)15-4-10-19-21(12-15)36-25-22(19)24-28-23(29-30(24)14-27-25)20-11-9-18(35-20)13-34-17-7-5-16(6-8-17)31(32)33/h5-9,11,14-15H,4,10,12-13H2,1-3H3InChIKey
UTNIBPAQUWHNBG-UHFFFAOYSA-NSynonyms
677304-12-0(O)(N+)(=O)c1ccc(cc1)OCc1ccc(o1)c1nn2c(n1)c1c(nc2)sc2c1CCC(C2)C(C)(C)C
677304120
9tertbutyl2(5((4nitrophenoxy)methyl)furan2yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=CC=C(O5)COC6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC26H25N5O4Sc126(23)154101921(1215)362522(19)242823(2930(24)142725)2011918(3520)1334177516(6817)31(32)33h59111415H4101213H213H3
MFCD04132592
ZINC000002798037
ZINC000002798038
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