Vitas-M small molecule compound
2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-14-(3,4-dimethoxyphenyl)-14H-benzo[7,8]chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK270927
SMILES COc1cc(ccc1OC)C1c2ccc3c(c2Oc2c1c1nc(nn1cn2)CSc1nc2c(o1)cccc2)cccc3
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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 C32H23N5O4S MW 573.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H23N5O4S/c1-38-24-14-12-19(15-25(24)39-2)27-21-13-11-18-7-3-4-8-20(18)29(21)41-31-28(27)30-35-26(36-37(30)17-33-31)16-42-32-34-22-9-5-6-10-23(22)40-32/h3-15,17,27H,16H2,1-2H3InChIKey
XGSYRUCLLLTWRR-UHFFFAOYSA-NSynonyms
2((13benzoxazol2ylsulfanyl)methyl)14(34dimethoxyphenyl)14Hbenzo(78)chromeno(32e)(124)triazolo(15c)pyrimidine
2((benzo(d)oxazol2ylthio)methyl)14(34dimethoxyphenyl)14Hbenzo(78)chromeno(32e)(124)triazolo(15c)pyrimidine
COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C6=NC(=NN6C=N5)CSC7=NC8=CC=CC=C8O7)OC
InChI=1SC32H23N5O4Sc13824141219(1525(24)392)2721131118734820(18)29(21)413128(27)303526(3637(30)173331)16423234229561023(22)4032h3151727H16H212H3
MFCD04159085
ZINC000098000288
ZINC000098000289
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