Vitas-M small molecule compound
2-[(11aS)-5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl]-N-[2-(phenylsulfanyl)ethyl]acetamide
Catalog ID
STL538629
SMILES O=C(CN1c2ccccc2C(=O)N2[C@H](C1=O)CCC2)NCCSc1ccccc1
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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/c26-20(23-12-14-29-16-7-2-1-3-8-16)15-25-18-10-5-4-9-17(18)21(27)24-13-6-11-19(24)22(25)28/h1-5,7-10,19H,6,11-15H2,(H,23,26)/t19-/m0/s1InChIKey
HINMWPWVCCQZDH-IBGZPJMESA-NSynonyms
1374566-46-7(S)2(511dioxo231111atetrahydro1Hbenzo(e)pyrrolo(12a)(14)diazepin10(5H)yl)N(2(phenylthio)ethyl)acetamide
1374566467
2((11aS)511dioxo231111atetrahydro1Hpyrrolo(21c)(14)benzodiazepin10(5H)yl)N(2(phenylsulfanyl)ethyl)acetamide
2((6~(a)~(S))611dioxo6~(a)789tetrahydropyrrolo(21c)(14)benzodiazepin5yl)~(N)(2phenylsulfanylethyl)acetamide
71691890
InChI=1SC22H23N3O3Sc2620(23121429167213816)1525181054917(18)21(27)241361119(24)22(25)28h1571019H61115H2(H2326)t19m0s1
O=C(CN1c2ccccc2C(=O)N2(C@H)(C1=O)CCC2)NCCSc1ccccc1
ZINC000072325146
ZINC72325146
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