Vitas-M small molecule compound

ethyl 2-(1,3-benzoxazol-2-ylamino)-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate

Catalog ID
STK167081
SMILES CCOC(=O)c1cnc(nc1CSc1nnc(s1)C)Nc1nc2c(o1)cccc2

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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 C18H16N6O3S2 MW 428.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N6O3S2/c1-3-26-15(25)11-8-19-16(20-13(11)9-28-18-24-23-10(2)29-18)22-17-21-12-6-4-5-7-14(12)27-17/h4-8H,3,9H2,1-2H3,(H,19,20,21,22)
InChIKey
RHOJAIZTIREOJL-UHFFFAOYSA-N
Synonyms
669745-93-1
CCOC(=O)C1=CN=C(N=C1CSC2=NN=C(S2)C)NC3=NC4=CC=CC=C4O3
ETHYL2((2E)13BENZOXAZOL2(3H)YLIDENEAMINO)4(((5METHYL134THIADIAZOL2YL)SULFANYL)METHYL)PYRIMIDINE5CARBOXYLATE
ETHYL2(13BENZOXAZOL2YLAMINO)4(((5METHYL134THIADIAZOL2YL)SULFANYL)METHYL)PYRIMIDINE5CARBOXYLATE
ETHYL2(13BENZOXAZOL2YLAMINO)4(((5METHYL134THIADIAZOL2YL)THIO)METHYL)5PYRIMIDINECARBOXYLATE
ETHYL2(13BENZOXAZOL2YLAMINO)4((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)PYRIMIDINE5CARBOXYLATE
ethyl2(benzo(d)oxazol2ylamino)4(((5methyl134thiadiazol2yl)thio)methyl)pyrimidine5carboxylate
ETHYL2(BENZOXAZOL2YLAMINO)4((5METHYL(134THIADIAZOL2YLTHIO))METHYL)PYRIMIDINE5CARBOXYLATE
Registry IDs
MFCD04187079
ZINC09016128
ZINC9016128

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.