Vitas-M small molecule compound
2-(benzylsulfanyl)-5-chloro-N-(3-nitrophenyl)pyrimidine-4-carboxamide
Catalog ID
STK609690
SMILES O=C(c1nc(ncc1Cl)SCc1ccccc1)Nc1cccc(c1)[N+](=O)[O-]
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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 C18H13ClN4O3S MW 400.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN4O3S/c19-15-10-20-18(27-11-12-5-2-1-3-6-12)22-16(15)17(24)21-13-7-4-8-14(9-13)23(25)26/h1-10H,11H2,(H,21,24)InChIKey
NTQMQZRMBCPHHU-UHFFFAOYSA-NSynonyms
895847-31-12(benzylsulfanyl)5chloroN(3nitrophenyl)pyrimidine4carboxamide
2(benzylthio)5chloroN(3nitrophenyl)pyrimidine4carboxamide
2benzylsulfanyl5chloroN(3nitrophenyl)pyrimidine4carboxamide
895847311
C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC(=CC=C3)(N+)(=O)(O))Cl
InChI=1SC18H13ClN4O3Sc1915102018(2711125213612)2216(15)17(24)211374814(913)23(25)26h110H11H2(H2124)
MFCD08735592
O=C(c1nc(ncc1Cl)SCc1ccccc1)Nc1cccc(c1)(N+)(=O)(O)
ZINC000009305777
ZINC09305777
ZINC9305777
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