Vitas-M small molecule compound

N-(6-benzyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide

Catalog ID
STK302418
SMILES O=C(c1cccc(c1)Cn1ncc(c1)[N+](=O)[O-])Nn1c(C)nc2c(c1=O)cc(s2)Cc1ccccc1

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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 C25H20N6O4S MW 500.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N6O4S/c1-16-27-24-22(12-21(36-24)11-17-6-3-2-4-7-17)25(33)30(16)28-23(32)19-9-5-8-18(10-19)14-29-15-20(13-26-29)31(34)35/h2-10,12-13,15H,11,14H2,1H3,(H,28,32)
InChIKey
GUZSAOSJUVAMSL-UHFFFAOYSA-N
Synonyms
512824-34-9
512824349
CC1=NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N1NC(=O)C4=CC(=CC=C4)CN5C=C(C=N5)(N+)(=O)(O)
InChI=1SC25H20N6O4Sc116272422(1221(3624)11176324717)25(33)30(16)2823(32)1995818(1019)14291520(132629)31(34)35h210121315H1114H21H3(H2832)
MFCD03468518
N(6benzyl2methyl4oxothieno(23d)pyrimidin3(4H)yl)3((4nitro1Hpyrazol1yl)methyl)benzamide
N(6BENZYL2METHYL4OXOTHIENO(23D)PYRIMIDIN3YL)3((4NITROPYRAZOL1YL)METHYL)BENZAMIDE
O=C(c1cccc(c1)Cn1ncc(c1)(N+)(=O)(O))Nn1c(C)nc2c(c1=O)cc(s2)Cc1ccccc1
ZINC000002735494
ZINC02735494
ZINC2735494

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Available files

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