Vitas-M small molecule compound

[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)methyl][4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyanamide

Catalog ID
STK525131
SMILES COc1nc(NC(C)C)nc(n1)N(CN1C(=O)c2c(S1(=O)=O)cccc2)C#N

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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 C16H17N7O4S MW 403.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N7O4S/c1-10(2)18-14-19-15(21-16(20-14)27-3)22(8-17)9-23-13(24)11-6-4-5-7-12(11)28(23,25)26/h4-7,10H,9H2,1-3H3,(H,18,19,20,21)
InChIKey
MRLHGQURYDSZJD-UHFFFAOYSA-N
Synonyms
370076-87-2
((11dioxido3oxo12benzothiazol2(3H)yl)methyl)(4methoxy6(propan2ylamino)135triazin2yl)cyanamide
(4ISOPROPYLAMINO6METHOXY(135)TRIAZIN2YL)(113TRIOXO13DIHYDRO1LAMBDA6BENZO(D)ISOTHIAZOL2YLMETHYL)CYANAMIDE
(4METHOXY6(PROPAN2YLAMINO)135TRIAZIN2YL)((113TRIOXO12BENZOTHIAZOL2YL)METHYL)CYANAMIDE
370076872
CC(C)NC1=NC(=NC(=N1)OC)N(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N
InChI=1SC16H17N7O4Sc110(2)18141915(2116(2014)273)22(817)92313(24)11645712(11)28(2325)26h4710H9H213H3(H18192021)
MFCD00694574
N((11dioxido3oxobenzo(d)isothiazol2(3H)yl)methyl)N(4(isopropylamino)6methoxy135triazin2yl)cyanamide
ZINC000002350904
ZINC02350904
ZINC2350904

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Available files

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