Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-6-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
Catalog ID
STL358901
SMILES COc1ccc(cc1)C1Nn2c(SC1C(=O)Nc1ccc(c(c1)Cl)C)nnc2C
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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 C20H20ClN5O2S MW 429.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN5O2S/c1-11-4-7-14(10-16(11)21)22-19(27)18-17(13-5-8-15(28-3)9-6-13)25-26-12(2)23-24-20(26)29-18/h4-10,17-18,25H,1-3H3,(H,22,27)InChIKey
WWTMXZWPJKGCPG-UHFFFAOYSA-NSynonyms
892240-42-5892240425
CC1=C(C=C(C=C1)NC(=O)C2C(NN3C(=NN=C3S2)C)C4=CC=C(C=C4)OC)Cl
InChI=1SC20H20ClN5O2Sc1114714(1016(11)21)2219(27)1817(135815(283)9613)252612(2)232420(26)2918h410171825H13H3(H2227)
MFCD09426536
N(3chloro4methylphenyl)6(4methoxyphenyl)3methyl67dihydro5H(124)triazolo(34b)(134)thiadiazine7carboxamide
ZINC000009236694
ZINC000009236698
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