Vitas-M small molecule compound

5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-(methylsulfanyl)pyrimidine-4-carboxamide

Catalog ID
STK909929
SMILES CCOc1ccc(c(c1)[N+](=O)[O-])NC(=O)c1nc(SC)ncc1Cl

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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 C14H13ClN4O4S MW 368.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13ClN4O4S/c1-3-23-8-4-5-10(11(6-8)19(21)22)17-13(20)12-9(15)7-16-14(18-12)24-2/h4-7H,3H2,1-2H3,(H,17,20)
InChIKey
SEECSQPZNIQYPJ-UHFFFAOYSA-N
Synonyms
838388-51-5
5chloroN(4ethoxy2nitrophenyl)2(methylsulfanyl)pyrimidine4carboxamide
5CHLORON(4ETHOXY2NITROPHENYL)2METHYLSULFANYLPYRIMIDINE4CARBOXAMIDE
838388515
CCOC1=CC(=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)(N+)(=O)(O)
CCOc1ccc(c(c1)(N+)(=O)(O))NC(=O)c1nc(SC)ncc1Cl
InChI=1SC14H13ClN4O4Sc132384510(11(68)19(21)22)1713(20)129(15)71614(1812)242h47H3H212H3(H1720)
MFCD06631762
ZINC000004820838
ZINC04820838
ZINC4820838

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.