Vitas-M small molecule compound
2,2-dimethyl-8-[(4-nitrobenzyl)sulfanyl]-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Catalog ID
STK721682
SMILES [O-][N+](=O)c1ccc(cc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1
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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 C27H22N4O3S2 MW 514.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O3S2/c1-27(2)12-19-20(13-34-27)22(17-6-4-3-5-7-17)30-25-21(19)23-24(36-25)26(29-15-28-23)35-14-16-8-10-18(11-9-16)31(32)33/h3-11,15H,12-14H2,1-2H3InChIKey
MLCMZPIDOVGUEL-UHFFFAOYSA-NSynonyms
587010-69-3(O)(N+)(=O)c1ccc(cc1)CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)c1ccccc1
22dimethyl8((4nitrobenzyl)sulfanyl)5phenyl14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidine
22dimethyl8((4nitrobenzyl)thio)5phenyl24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidine
587010693
CC1(CC2=C3C4=C(C(=NC=N4)SCC5=CC=C(C=C5)(N+)(=O)(O))SC3=NC(=C2CO1)C6=CC=CC=C6)C
InChI=1SC27H22N4O3S2c127(2)121920(133427)22(176435717)302521(19)2324(3625)26(29152823)35141681018(11916)31(32)33h31115H1214H212H3
MFCD04034208
ZINC000001868603
ZINC01868603
ZINC1868603
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