Vitas-M small molecule compound
methyl [4-({2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Catalog ID
STL124884
SMILES COC(=O)CC1=CC(=Nc2c(N1)cccc2)SCC(=O)Nc1cc(C)ccc1C
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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 C22H23N3O3S MW 409.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O3S/c1-14-8-9-15(2)19(10-14)24-20(26)13-29-21-11-16(12-22(27)28-3)23-17-6-4-5-7-18(17)25-21/h4-11,23H,12-13H2,1-3H3,(H,24,26)InChIKey
LDNRYTKYQPWDHM-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=CC=CC=C3NC(=C2)CC(=O)OC
InChI=1SC22H23N3O3Sc1148915(2)19(1014)2420(26)1329211116(1222(27)283)2317645718(17)2521h41123H1213H213H3(H2426)
methyl(4((2((25dimethylphenyl)amino)2oxoethyl)sulfanyl)1H15benzodiazepin2yl)acetate
methyl2(4(2(25dimethylanilino)2oxoethyl)sulfanyl1H15benzodiazepin2yl)acetate
MFCD20736238
ZINC000049421621
ZINC49421621
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