Vitas-M small molecule compound
3-nitro-N-[2,2,2-trichloro-1-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)ethyl]benzamide
Catalog ID
STL527575
SMILES S=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(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 C21H20Cl3N5O4S MW 544.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl3N5O4S/c22-21(23,24)19(25-18(31)13-3-1-4-15(8-13)29(32)33)26-20(34)27-9-12-7-14(11-27)16-5-2-6-17(30)28(16)10-12/h1-6,8,12,14,19H,7,9-11H2,(H,25,31)(H,26,34)/t12-,14+,19?/m0/s1InChIKey
FVTOEQCNZVBCID-OSHZWXCDSA-NSynonyms
3nitroN(222trichloro1((((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)carbonothioyl)amino)ethyl)benzamide
3nitroN(222trichloro1((1R5R)8oxo234568hexahydro1H15methanopyrido(12a)(15)diazocine3carbothioamido)ethyl)benzamide
InChI=1SC21H20Cl3N5O4Sc2221(2324)19(2518(31)1331415(813)29(32)33)2620(34)27912714(1127)1652617(30)28(16)1012h168121419H7911H2(H2531)(H2634)t1214+19?m0s1
MFCD03660297
S=C(N1C(C@@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NC(C(Cl)(Cl)Cl)NC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000002140218
ZINC000002140220
Check stock
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Check stock on Vitas-MAvailable files
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