Vitas-M small molecule compound
2-(6,12-dioxo-6,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepin-5(12H)-yl)-N-[(2Z)-5-(methoxymethyl)-1,3,4-thiadiazol-2(3H)-ylidene]acetamide
Catalog ID
STL318601
SMILES COCc1n[nH]/c(=N/C(=O)CN2C(=O)C3CCCCN3C(=O)c3c2cccc3)/s1
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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 C19H21N5O4S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O4S/c1-28-11-16-21-22-19(29-16)20-15(25)10-24-13-7-3-2-6-12(13)17(26)23-9-5-4-8-14(23)18(24)27/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,20,22,25)InChIKey
QKZCSBNWBHUSMQ-UHFFFAOYSA-NSynonyms
1401533-42-31401533423
2(612dioxo66a78910hexahydropyrido(21c)(14)benzodiazepin5(12H)yl)N((2Z)5(methoxymethyl)134thiadiazol2(3H)ylidene)acetamide
2(612dioxo78910tetrahydro6aHpyrido(21c)(14)benzodiazepin5yl)N(5(methoxymethyl)134thiadiazol2yl)acetamide
COCC1=NN=C(S1)NC(=O)CN2C3=CC=CC=C3C(=O)N4CCCCC4C2=O
COCc1n(nH)c(=NC(=O)CN2C(=O)C3CCCCN3C(=O)c3c2cccc3)s1
InChI=1SC19H21N5O4Sc1281116212219(2916)2015(25)102413732612(13)17(26)23954814(23)18(24)27h236714H45811H21H3(H202225)
MFCD28031380
ZINC000079479858
ZINC000079479861
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