Vitas-M small molecule compound
2-{[2,2-dimethyl-5-(pyrrolidin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STL241974
SMILES O=C(c1cccc(c1)[N+](=O)[O-])CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1
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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 C26H25N5O4S2 MW 535.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O4S2/c1-26(2)11-17-18(12-35-26)23(30-8-3-4-9-30)29-24-20(17)21-22(37-24)25(28-14-27-21)36-13-19(32)15-6-5-7-16(10-15)31(33)34/h5-7,10,14H,3-4,8-9,11-13H2,1-2H3InChIKey
MZYHYYMNXPAJMK-UHFFFAOYSA-NSynonyms
799826-22-52((22dimethyl5(pyrrolidin1yl)14dihydro2Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)sulfanyl)1(3nitrophenyl)ethanone
2((22dimethyl5(pyrrolidin1yl)24dihydro1Hpyrano(4345)pyrido(3245)thieno(32d)pyrimidin8yl)thio)1(3nitrophenyl)ethanone
799826225
CC1(CC2=C3C4=C(C(=NC=N4)SCC(=O)C5=CC(=CC=C5)(N+)(=O)(O))SC3=NC(=C2CO1)N6CCCC6)C
InChI=1SC26H25N5O4S2c126(2)111718(123526)23(30834930)292420(17)2122(3724)25(28142721)361319(32)1565716(1015)31(33)34h571014H34891113H212H3
MFCD03683302
O=C(c1cccc(c1)(N+)(=O)(O))CSc1ncnc2c1sc1c2c2CC(C)(C)OCc2c(n1)N1CCCC1
ZINC000097952154
ZINC97952154
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