Vitas-M small molecule compound

2-{5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-yl}-9,10-dihydro-8H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Catalog ID
STL171595
SMILES Cc1ccc(c(c1)[N+](=O)[O-])OCc1ccc(o1)c1nc2n(n1)cnc1c2c2CCCc2s1

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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 C22H17N5O4S MW 447.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5O4S/c1-12-5-7-16(15(9-12)27(28)29)30-10-13-6-8-17(31-13)20-24-21-19-14-3-2-4-18(14)32-22(19)23-11-26(21)25-20/h5-9,11H,2-4,10H2,1H3
InChIKey
KMKYALGLJWSCNM-UHFFFAOYSA-N
Synonyms
677735-79-4
2(5((4methyl2nitrophenoxy)methyl)furan2yl)910dihydro8Hcyclopenta(45)thieno(32e)(124)triazolo(15c)pyrimidine
677735794
CC1=CC(=C(C=C1)OCC2=CC=C(O2)C3=NN4C=NC5=C(C4=N3)C6=C(S5)CCC6)(N+)(=O)(O)
Cc1ccc(c(c1)(N+)(=O)(O))OCc1ccc(o1)c1nc2n(n1)cnc1c2c2CCCc2s1
InChI=1SC22H17N5O4Sc1125716(15(912)27(28)29)3010136817(3113)202421191432418(14)3222(19)231126(21)2520h5911H2410H21H3
MFCD04046075
ZINC000002788713
ZINC02788713
ZINC2788713

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Available files

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