Vitas-M small molecule compound

N-(2-tert-butyl-6,6-dimethyl-4-oxo-5,8-dihydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-3(6H)-yl)-4-nitrobenzamide

Catalog ID
STK039499
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])Nn1c(=O)c2c(nc1C(C)(C)C)sc1c2CC(C)(C)OC1

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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 C22H24N4O5S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O5S/c1-21(2,3)20-23-18-16(14-10-22(4,5)31-11-15(14)32-18)19(28)25(20)24-17(27)12-6-8-13(9-7-12)26(29)30/h6-9H,10-11H2,1-5H3,(H,24,27)
InChIKey
XASMPBVWRBZDQI-UHFFFAOYSA-N
Synonyms
303959-77-5
303959775
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)C(C)(C)C)NC(=O)C4=CC=C(C=C4)(N+)(=O)(O))C
InChI=1SC22H24N4O5Sc121(23)20231816(141022(45)311115(14)3218)19(28)25(20)2417(27)126813(9712)26(29)30h69H1011H215H3(H2427)
MFCD00694654
N(2(tertbutyl)66dimethyl4oxo4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin3yl)4nitrobenzamide
N(2tertbutyl66dimethyl4oxo58dihydro4Hpyrano(4345)thieno(23d)pyrimidin3(6H)yl)4nitrobenzamide
N(2tertbutyl66dimethyl4oxo58dihydropyrano(23)thieno(24b)pyrimidin3yl)4nitrobenzamide
O=C(c1ccc(cc1)(N+)(=O)(O))Nn1c(=O)c2c(nc1C(C)(C)C)sc1c2CC(C)(C)OC1
STK039499
ZINC000001301803
ZINC01301803
ZINC1301803

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Available files

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