Vitas-M small molecule compound

4-[(Z)-{5-imino-7-oxo-2-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]phenyl 4-chlorobenzoate

Catalog ID
STL238792
SMILES Clc1ccc(cc1)C(=O)Oc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1

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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 C25H20ClN5O4S MW 521.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN5O4S/c26-17-7-5-16(6-8-17)24(34)35-18-9-3-15(4-10-18)13-19-22(27)31-25(28-23(19)33)36-20(29-31)14-21(32)30-11-1-2-12-30/h3-10,13,27H,1-2,11-12,14H2/b19-13-,27-22-
InChIKey
QXZXTTTXPUXCNG-VTVAOOKBSA-N
Synonyms
877785-03-0
(Z)4((5imino7oxo2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4chlorobenzoate
4((Z)(5imino7oxo2(2oxo2(pyrrolidin1yl)ethyl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)phenyl4chlorobenzoate
877785030
Clc1ccc(cc1)C(=O)Oc1ccc(cc1)C=C1C(=O)N=c2n(C1=N)nc(s2)CC(=O)N1CCCC1
MFCD05701105
ZINC000101244566

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Available files

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