Vitas-M small molecule compound

2-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-7-methyl-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol

Catalog ID
STK213665
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C1N=C(O)c2c(N1)sc1c2CCC(C1)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 C24H22N4O7S MW 510.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O7S/c1-12-3-6-15-20(9-12)36-24-21(15)23(29)25-22(26-24)13-4-7-18(19(10-13)34-2)35-17-8-5-14(27(30)31)11-16(17)28(32)33/h4-5,7-8,10-12,22,26H,3,6,9H2,1-2H3,(H,25,29)
InChIKey
CGGNDXJKOYZCAB-UHFFFAOYSA-N
Synonyms

2(4(24dinitrophenoxy)3methoxyphenyl)7methyl125678hexahydro(1)benzothieno(23d)pyrimidin4ol
2(4(24dinitrophenoxy)3methoxyphenyl)7methyl235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC5=C(C=C(C=C5)(N+)(=O)(O))(N+)(=O)(O))OC
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C1N=C(O)c2c(N1)sc1c2CCC(C1)C
InChI=1SC24H22N4O7Sc112361520(912)362421(15)23(29)2522(2624)134718(19(1013)342)35178514(27(30)31)1116(17)28(32)33h457810122226H369H212H3(H2529)
MFCD07436940
ZINC000010058997
ZINC000010059000

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Available files

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